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Profile: Shanghai Chemhere Co., Ltd. deals with lab reagent, fine chemicals and active pharmaceutical ingredients. We develop catalysts and key reagents for laboratories. Our chemicals are used in research institutes and universities. We also offer custom synthesis in both research and development scale.

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• 2,3-Diaminonaphthalene
IUPAC Name: naphthalene-2,3-diamine | CAS Registry Number: 771-97-1
Synonyms: 2,3-Naphthalenediamine, 2,3-Naphthylenediamine, D2757_SIAL, 88461_FLUKA, EINECS 212-241-0, NSC 62692, NSC62692, SBB000127, ZINC00134238, LS-170545, C026373, InChI=1/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H, DAN

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XTBLDMQMUSHDEN-UHFFFAOYSA-N

• 3-Allyl-2-hydroxy-benzaldehyde
IUPAC Name: 2-hydroxy-3-prop-2-enylbenzaldehyde | CAS Registry Number: 24019-66-7
Synonyms: 3-Allylsalicylaldehyde, nchembio814-comp14, Salicylaldehyde, 3-allyl-, 636339_ALDRICH, TPC-B001, ZINC01420514, Benzaldehyde, 2-hydroxy-3-(2-propenyl)-, CID141062, SBB010096, BAS 02801117

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: INLWEXRRMUMHKB-UHFFFAOYSA-N

• 1-Benzylimidazole
IUPAC Name: 1-(phenylmethyl)imidazole | CAS Registry Number: 4238-71-5
Synonyms: 1-Benzyl-1H-imidazole, N-Benzylimidazole, Imidazole, 1-benzyl-, 2afx, 1H-Imidazole, 1-(phenylmethyl)-, Maybridge3_003880, 1-(phenylmethyl)imidazole, 1-BENZYL IMIDAZOLE, CCRIS 5821, MLS000069473, 116416_ALDRICH, Imidazole, 1-benzyl- (8CI), 13479_FLUKA, EINECS 224-200-4, NSC 126828, NSC 217337, NSC126828, NSC217337, SBB003990, ZINC00169811

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KKKDZZRICRFGSD-UHFFFAOYSA-N

• 2-Bromo-1-(2,4-dimethylphenyl)ethan-1-one
IUPAC Name: 2-bromo-1-(2,4-dimethylphenyl)ethanone | CAS Registry Number: 26346-85-0
Synonyms: 2-bromo-1-(2,4-dimethylphenyl)ethanone, 2-Bromo-1-(2,4-Dimethylphenyl)Ethan-1-One, 2,4-Dimethyl phenacyl bromide, ZINC02566208, PubChem16796, AC1Q2HWE, AC1M14DR, 2,4-Dimethylphenacyl bromide, KSC557O1L, CTK4F7715, MolPort-000-144-144, ACT00459, ANW-46305, QC-964, SBB080844, AKOS000210454, AG-E-82745, MCULE-6971495395, AK-86381, KB-68187

Molecular Formula: C10H11BrOMolecular Weight: 227.097740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GSCCVWPVPFIRJP-UHFFFAOYSA-N

• 4-Chloro-4'-Fluoro Butyrophenone
IUPAC Name: 4-chloro-1-(4-fluorophenyl)butan-1-one | CAS Registry Number: 3874-54-2
Synonyms: p-Fluorobenzoylpropyl chloride, 4-Chloro-4'-fluorobutyrophenone, 4-Fluorobenzoylpropyl chloride, 4-Chloro-p-fluorobutyrophenone, p-Fluoro-4-chlorobutyrophenone, NCIOpen2_005403, C43609_ALDRICH, 3-Chloro-4'-fluorobutyrophenone, 4'-Fluoro-4-chlorobutyrophenone, .gamma.-Chloro-p-fluorobutyrophenone, 3-(p-Fluorobenzoyl)propyl chloride, gamma-Chloro-p-fluorobutyrophene, 3-(4-Fluorobenzoyl)propyl chloride, Butyrophenone, 4-chloro-4'-fluoro-, gamma-Chloro-p-fluorobutyrophenone, p-Fluoro-gamma-chlorobutyrophenone, .gamma.-Chloro-p-fluorobutyrophene, 1-Butanone, 4-chloro-1-(4-fluorophenyl)-, gamma-Chloro-4-fluorobutyrophenone, 3-Chloropropyl 4'-fluorophenyl ketone

Molecular Formula: C10H10ClFOMolecular Weight: 200.637203 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HXAOUYGZEOZTJO-UHFFFAOYSA-N

• 2-Methoxyphenylacetic acid methyl
IUPAC Name: methyl 2-(2-methoxyphenyl)acetate | CAS Registry Number: 27798-60-3
Synonyms: Ambap1129, Methyl o-methoxyphenylacetate, Methyl (2-methoxyphenyl)acetate, EINECS 248-662-1, NSC245109, Benzeneacetic acid, 2-methoxy-, methyl ester, Acetic acid, (o-methoxyphenyl)-, methyl ester

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BNQRSYFOIRGRKV-UHFFFAOYSA-N

• 4-(1H-Pyrazol-1-Ylmethyl)aniline
IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline | CAS Registry Number: 142335-61-3
Synonyms: Oprea1_796053, 4-Pyrazol-1-ylmethyl-phenylamine, ZINC00170354, 4-(1H-pyrazol-1-ylmethyl)aniline, STK301671, CID2764412, BAS 07758485, T6420352

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISRYTHBRUSOVAB-UHFFFAOYSA-N

• 1-(2-Aminophenyl)pyrrole
IUPAC Name: 2-pyrrol-1-ylaniline | CAS Registry Number: 6025-60-1
Synonyms: N-(2-Aminophenyl)pyrrole, 2-(1H-Pyrrol-1-yl)aniline, MLS000833745, 196940_ALDRICH, EINECS 227-884-2, NSC130753, ZINC00137173, SMR000457466, ST5109376

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GDMZHPUPLWQIBD-UHFFFAOYSA-N

• 1-Acetyl-5-bromoindoline
IUPAC Name: 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 22190-38-1
Synonyms: Maybridge1_005011, A6125_SIGMA, ZINC00124999, CID721847, ST013850, A-0700

Molecular Formula: C10H10BrNOMolecular Weight: 240.096500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WQKQAIXOTCPWFE-UHFFFAOYSA-N

• 5'-Ethyl-2'-hydroxyacetophenone
IUPAC Name: 1-(5-ethyl-2-hydroxyphenyl)ethanone | CAS Registry Number: 24539-92-2
Synonyms: 1-(5-ethyl-2-hydroxyphenyl)ethanone, ZINC02510317, AC1MBZ2P, SureCN925372, Ambap24539-92-2, CTK4F3860, AKOS005261408, AG-E-73274, 1-(5-ethyl-2-oxidanyl-phenyl)ethanone, Ethanone,1-(5-ethyl-2-hydroxyphenyl)-, KB-215396, FT-0638430, A817352, Acetophenone,5'-ethyl-2'-hydroxy- (8CI);1-(5-Ethyl-2-hydroxyphenyl)ethanone;3-Ethyl-6-hydroxyacetophenone;5'-Ethyl-2'-hydroxyacetophenone;

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GSTOHKXQBZZTPF-UHFFFAOYSA-N

• (R)-Benzyloxymethyl-oxirane
IUPAC Name: (2R)-2-(phenylmethoxymethyl)oxirane | CAS Registry Number: 14618-80-5
Synonyms: (R)-O-Benzylglycidol, (R)-Benzyl glycidyl ether, R- Benzyloxymethyl-oxirane, CCRIS 6385, (R)-(-)-Benzyloxymethyloxirane, 363529_ALDRICH, (S)-1-(Benzyloxy)-2,3-epoxypropane, BRN 3588399, ZINC02170164, NCGC00166044-01, (−)-Benzyl (R)-glycidyl ether, Propane, 1-(benzyloxy)-2,3-epoxy-, (S)-, Oxirane, ((phenylmethoxy)methyl)-, (R)-, LS-119621, ST5405570, TL8001018, Propane, 1-(benzyloxy)-2,3-epoxy-, (R)-, (R)-(−)-2-(Benzyloxymethyl)oxirane, 5-17-03-00016 (Beilstein Handbook Reference), Oxirane, ((phenylmethoxy)methyl)-, (R)- (9CI)

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QNYBOILAKBSWFG-JTQLQIEISA-N

• 4-Propoxybenzaldehyde
IUPAC Name: 4-propoxybenzaldehyde | CAS Registry Number: 5736-85-6
Synonyms: p-Propoxybenzaldehyde, Propoxybenzaldehyde, Benzaldehyde, p-propoxy-, Benzaldehyde, 4-propoxy-, p-(n-Propoxy)benzaldehyde, WLN: VHR DO3, NSC 32509, 333638_ALDRICH, MolPort-000-158-383, NSC 406729, ALBB-007503, CID79812, NSC32509, BRN 0743408, NSC406729, STK500953, ZINC01664925, AI3-05518, FR-1083, LS-25152

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FGXZWMCBNMMYPL-UHFFFAOYSA-N

• 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-amino-
IUPAC Name: 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid | CAS Registry Number: 7303-50-6
Synonyms: Azatryptophan, 7-Azatryptophan, 7-aza-Tryptophan, dl-7-Azatryptophan, DL-7-Azatryptophan hydrate, A1632_SIGMA, NSC19495, NSC 19495, SBB005480, CID5354789, LS-139499, alpha-Amino-1H-pyrrolo(2,3-b)pyridine-3-propionic acid, 1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino- (9CI), 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, (-)-, 1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino-, dl-, 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, .alpha.-amino-, (-)-, 1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, .alpha.-amino-, dl-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, (+-)- (9CI)

Molecular Formula: C10H11N3O2Molecular Weight: 205.213240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: SNLOIIPRZGMRAB-UHFFFAOYSA-N

• 4-N-Propylbenzaldehyde
IUPAC Name: 4-propylbenzaldehyde | CAS Registry Number: 28785-06-0
Synonyms: p-Propylbenzaldehyde, 4-Propylbenzaldehyde, 4-Propylbenzaldehyd, Benzaldehyde, 4-propyl-, Benzaldehyde, p-propyl-, 562882_ALDRICH, EINECS 249-221-6, BRN 2206736, ZINC02584250, LS-25153, 2-07-00-00246 (Beilstein Handbook Reference)

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MAUCRURSQMOFGV-UHFFFAOYSA-N

• 5-Benzylhydantoin
IUPAC Name: 5-(phenylmethyl)imidazolidine-2,4-dione | CAS Registry Number: 3530-82-3
Synonyms: Maybridge4_003425, Oprea1_159971, 5-benzyl-2,4-imidazolidinedione, AIDS019717, AIDS-019717, NSC30459, NSC50842, EINECS 222-563-3, NSC 30459, NSC 50842, RJC 02813, 5-(Phenylmethyl)imidazolidine-2,4-dione, NCGC00175858-01, 2,4-Imidazolidinedione, 5-(phenylmethyl)-, SR-01000642834-1

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DBOMTIHROGSFTI-UHFFFAOYSA-N

• 4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride
IUPAC Name: 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride | CAS Registry Number: 499770-73-9
Synonyms: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl chloride, 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl chloride, ZINC04272065, AC1MDT1X, CTK6I3341, MolPort-000-142-489, SBB094541, AG-A-76868, CC13502, RP04794, KB-193252, Y9226, I14-106901, 4-methyl-2H,3H-benzo[e]1,4-oxazine-7-carbonyl chloride

Molecular Formula: C10H10ClNO2Molecular Weight: 211.644900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PXEFRDHZTILJRB-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl) Piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazin-4-ium | CAS Registry Number: 41202-77-1
Synonyms: ZINC00386729, CID6950013

Molecular Formula: C10H13Cl2N2+Molecular Weight: 232.129620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-O

• 3-Phenylbutyric acid
IUPAC Name: 3-phenylbutanoic acid | CAS Registry Number: 4593-90-2
Synonyms: 3-Phenylbutanoic acid, 3-PHENYLBUTYRIC ACID, beta-Phenylbutyric acid, Enamine_005505, ()-3-Phenylbutyric acid, .beta.-Phenyl-n-butyric acid, NCIOpen2_000158, 116807_ALDRICH, ()-beta-Methylhydrocinnamic acid, AIDS110919, AIDS-110919, Benzenepropanoic acid, beta-methyl-, NSC67346, EINECS 224-987-4, NSC177801, NSC 177801, AI3-11112, ST5407989, Benzenepropanoic acid, .beta.-methyl-, (S)-, 772-17-8

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZEWMYILWXCRHZ-UHFFFAOYSA-N

• 4-Phenylbutyrolactone
IUPAC Name: 5-phenyloxolan-2-one | CAS Registry Number: 1008-76-0
Synonyms: 4-Phenylbutanolide, 4-Phenyl-4-butanolide, gamma-Phenyl-gamma-butyrolactone, .gamma.-Phenylbutyrolactone, ghl.PD_Mitscher_leg0.1063, .gamma.-Phenyl-.gamma.-butyrolactone, 176451_ALDRICH, 2(3H)-Furanone, dihydro-5-phenyl-, 5-phenyl-tetrahydro-furan-2-one, EINECS 213-761-0, 4-Phenyl-4-hydroxybutanoic acid lactone, NSC 24259, NSC 48048, NSC24259, NSC48048, BRN 0125169, 4,5-Dihydro-5-phenyl-2(3H)-furanone, LS-70463, ST5406648, 2(3H)-Furanone, dihydro-5-phenyl- (8CI)

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEUULUMEYIPECD-UHFFFAOYSA-N

• 2,4,6-Trimethylphenyl Isothiocyanate
IUPAC Name: 2-isothiocyanato-1,3,5-trimethylbenzene | CAS Registry Number: 6095-82-5
Synonyms: 2,4,6-Trimethylphenyl isothiocyanate, ZINC00164716, 2-Isothiocyanato-1,3,5-trimethylbenzene, CID138659, BBR-026938

Molecular Formula: C10H11NSMolecular Weight: 177.266040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KKYMYPLVBCVDPL-UHFFFAOYSA-N

• 2-Phenylethyl Acetate
IUPAC Name: 2-phenylethyl acetate | CAS Registry Number: 103-45-7
Synonyms: Phenethyl acetate, 2-Phenylethyl acetate, 2-Phenethyl acetate, Benzylcarbinyl acetate, beta-Phenylethyl acetate, Acetic acid, phenethyl ester, Phenylethyl acetate, Phenethyl alcohol, acetate, Acetic acid, 2-phenylethyl ester, beta-Phenethyl acetate, Ethanol, 2-phenyl-, acetate, Phenethyl acetate (natural), .beta.-Phenethyl acetate, .beta.-Phenylethyl acetate, Phenylethyl acetate-.beta., FEMA No. 2857, NCIOpen2_000347, WLN: 1VO2R, W285706_ALDRICH, W285714_ALDRICH

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N

• 1,4-Benzodioxan-6-yl methyl ketone
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-7-yl)ethanone | CAS Registry Number: 2879-20-1
Synonyms: Maybridge1_002180, 6-Acetyl-1,4-benzodioxane, 179027_ALDRICH, ZINC03861306, ALBB-002993, CID76143, ZERO/009863, EINECS 220-726-3, SDCCGMLS-0065885.P001, EU-0000213, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone, Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-, A2271/0095736, InChI=1/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HGVWMTAIIYNQSI-UHFFFAOYSA-N

• 3-Amino-5-(4-methoxyphenyl)pyrazole
IUPAC Name: 5-(4-methoxyphenyl)-1H-pyrazol-3-amine | CAS Registry Number: 19541-95-8
Synonyms: 3-(4-methoxyphenyl)-1H-pyrazol-5-amine, 5-Amino-3-(4-methoxyphenyl)pyrazole, 5-(4-methoxyphenyl)-1H-pyrazol-3-amine, 3-Amino-5-(4-methoxyphenyl)-1H-pyrazole, 5-amino-3-(4-methoxyphenyl)-1h-pyrazole, 5-(4-Methoxy-phenyl)-2H-pyrazol-3-ylamine, AG-E-42844, 5-(4-methoxyphenyl)-2h-pyrazol-3-ylamine, ST51041782, 3-(4-methoxyphenyl)pyrazole-5-ylamine, PubChem12113, AC1MBTN8, SureCN167088, SureCN1143140, Oprea1_183823, 535370_ALDRICH, PYR146, CTK4E1749, CTK7A2883, MolPort-000-151-122

Molecular Formula: C10H11N3OMolecular Weight: 189.213840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UPAGEJODHNVJNM-UHFFFAOYSA-N

• 3-(1H-Pyrrol-1-yl)aniline
IUPAC Name: 3-pyrrol-1-ylaniline | CAS Registry Number: 89353-42-4
Synonyms: 3-(1H-pyrrol-1-yl)aniline, 3-Pyrrol-1-yl-phenylamine, 3-pyrrol-1-ylaniline, 3-pyrrolylphenylamine, BAS 12382138, 3-(1-pyrrolyl)aniline, 3-pyrrol-1-yl-aniline, AC1MC2XE, 3-(pyrrol-1-yl)aniline, 1-(3-aminophenyl)pyrrole, SureCN632230, MLS000718576, AC1Q51G7, MolPort-000-142-673, BB_SC-4698, HMS1697E17, HMS2668A18, ANW-59792, BBL009667, SBB017947

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PJGDCPOPSNUYHC-UHFFFAOYSA-N

• 1-Naphthylhydrazine hydrochloride
IUPAC Name: naphthalen-1-ylhydrazine hydrochloride | CAS Registry Number: 2243-56-3
Synonyms: Ambap664, NSC4158, NSC5527, CID519949, 1-Hydrazinonaphthalene monohydrochloride, .alpha.-Naphthylhydrazine monohydrochloride, TL8001879, Hydrazine, 1-naphthalenyl-, monohydrochloride

Molecular Formula: C10H11ClN2Molecular Weight: 194.660740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: FYSSYOCJFZSKNW-UHFFFAOYSA-N

• 2,4,6-Trimethylbenzaldehyde
IUPAC Name: 2,4,6-trimethylbenzaldehyde | CAS Registry Number: 487-68-3
Synonyms: Mesitaldehyde, Mesitylaldehyde, 2-Formylmesitylene, Mesitylenecarboxaldehyde, 2-Mesitylenecarboxaldehyde, Benzaldehyde, 2,4,6-trimethyl-, 2,4,6-TRIMETHYLBENZALDEHYDE, M6808_ALDRICH, 63900_FLUKA, EINECS 207-662-1, NSC 29094, 2-Formyl-1,3,5-trimethylbenzene, CID10254, NSC29094, BRN 1364114, ZINC01651948, AI3-06142, LS-25172, TL8003272, 4-07-00-00730 (Beilstein Handbook Reference)

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HIKRJHFHGKZKRI-UHFFFAOYSA-N

• 6-Chloro-2-fluoropurine
IUPAC Name: 6-chloro-2-fluoro-7H-purine | CAS Registry Number: 1651-29-2
Synonyms: 1jdj, nchembio.87-comp26, 2-Fluoro-6-chloropurine, 6-Chloro-2-fluoro-9H-purine, 6-CHLORO-2-FLUOROPURINE, NSC37363, ZINC04242552, CID5287914, TL8001267, CFP

Molecular Formula: C5H2ClFN4Molecular Weight: 172.547583 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UNRIYCIDCQDGQE-UHFFFAOYSA-N

• 4-(2-Pyridyl)-2-Methyl-3-Butyn-2-Ol
IUPAC Name: 2-methyl-4-pyridin-2-ylbut-3-yn-2-ol | CAS Registry Number: 29767-97-3
Synonyms: 4-(2-Pyridyl)-2-Methyl-3-Butyn-2-ol, 2-methyl-4-(2-pyridinyl)-3-butyn-2-ol, 2-methyl-4-(pyridin-2-yl)but-3-yn-2-ol, 2-methyl-4-(2-pyridyl)but-3-yn-2-ol, ZINC00076475, ACMC-20amxd, AC1LF7DU, AC1Q1NNL, SureCN1201922, Oprea1_792862, Oprea1_799539, STOCK1N-48052, CTK0J1104, MolPort-000-757-322, HMS1578K02, CCG-1972, CCG-2128, SBB087535, STK386856, AKOS000623497

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBUWIVMOMHEALF-UHFFFAOYSA-N

• 4-(4-Bromophenyl)morpholine
IUPAC Name: 4-(4-bromophenyl)morpholine | CAS Registry Number: 30483-75-1
Synonyms: N-(4-Bromophenyl)morpholine, AG-F-00469, PubChem16733, ACMC-1CS6L, AGN-PC-00CV4Y, SureCN1515927, AMTH038, 4-(4'-bromophenyl)morpholine, 591777_ALDRICH, Jsp005749, Morpholine,4-(4-bromophenyl)-, CTK4G5280, MolPort-000-002-265, Morpholine, 4-(4-bromophenyl)-, ANW-26886, ZINC02526703, 4-(4-BROMOPHENYL)-MORPHOLINE, AKOS005254911, AC-3335, QC-4731

Molecular Formula: C10H12BrNOMolecular Weight: 242.112380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UJTKZWNRUPTHSB-UHFFFAOYSA-N

• 3' Acetamidoacetophenone
IUPAC Name: N-(3-acetylphenyl)acetamide | CAS Registry Number: 7463-31-2
Synonyms: 3-Acetylacetanilide, 3'-Acetamidoacetophenone, 3-Acetamidoacetophenone, N-(3-acetylphenyl)acetamide, 00188_FLUKA, NSC404340, CID346202, SBB005777, ZINC00363261, TL806426, AN-652/41025152

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AFZTYHRVDOKRKV-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 41994-51-8
Synonyms: Tic-AA, IFLab1_006055, ZERO/005048, NSC14794, EINECS 255-610-1, EINECS 266-580-4, NSC 14794, Tetrahydro-3-isoquinoline carboxylic acid, TL8000164, EU-0099971, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, C078986, D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-isomer, 35186-99-3, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (+-)-isomer

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWKMGYQJPOAASG-UHFFFAOYSA-N

• 2-Ethoxyphenylacetic acid
IUPAC Name: 2-(2-ethoxyphenyl)acetic acid | CAS Registry Number: 70289-12-2
Synonyms: Acetic acid, o-ethoxyphenyl-, Acetic acid, o-ethoxyphenyl-,, o-ETHOXY PHENYL ACETIC ACID, NSC165611

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ABROWERIMKBDEW-UHFFFAOYSA-N

• 5-Ethoxyindole
IUPAC Name: 5-ethoxy-1H-indole | CAS Registry Number: 10501-17-4
Synonyms: 5-ethoxy-1H-indole, AG-D-18104, PubChem8553, AC1NGORP, 1H-Indole, 5-ethoxy-, SureCN1196091, KSC174G9B, CTK0H4390, 5-Ethyloxyindole;1-Ethoxyindole;, MolPort-000-928-726, AM681, KUC107902N, ACT03558, ANW-50857, SBB087536, ZINC08325056, AKOS004116921, KSC-09-235, AK-21810, BR-21810

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IEKPDICCMASELW-UHFFFAOYSA-N

• 1-Methyl-3-phenyl-1H-pyrazol-5-ol
IUPAC Name: 2-methyl-5-phenyl-1H-pyrazol-3-one | CAS Registry Number: 34347-81-4
Synonyms: 1-methyl-3-phenyl-1H-pyrazol-5-ol, SBB023391, 2-methyl-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, 1-methyl-3-phenyl-3-pyrazolin-5-one, methylphenylpyrazolol, AC1MC8E6, SureCN4309468, 2-methyl-5-phenylpyrazol-3-ol, CTK4H2199, CTK6I1378, MolPort-000-893-674, MolPort-002-344-639, STK350544, ZINC05756553, 2-methyl-5-phenyl-1H-pyrazol-3-one, AKOS000313033, AKOS005069850, 1H-Pyrazol-5-ol,1-methyl-3-phenyl-, 1K-553S, AG-B-91656

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: INOLYMVSZFIBGA-UHFFFAOYSA-N

• 3-Ethoxy-4-methoxybenzaldehyde
IUPAC Name: 3-ethoxy-4-methoxybenzaldehyde | CAS Registry Number: 1131-52-8
Synonyms: 3-Ethoxy-p-anisaldehyde, NSC55839, 252751_SIAL, ALBB-001312, CID244728, STK013237, ZINC00161583, TL8000390

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VAMZHXWLGRQSJS-UHFFFAOYSA-N

• 4-N-Propylbenzoyl Chloride
IUPAC Name: 4-propylbenzoyl chloride | CAS Registry Number: 52710-27-7
Synonyms: p-Propylbenzoyl chloride, Benzoyl chloride, 4-propyl-, BTB09875, CID104293, ZINC02140819

Molecular Formula: C10H11ClOMolecular Weight: 182.646740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NZYPCJXREKMMCJ-UHFFFAOYSA-N

• 4-Allyloxybenzaldehyde
IUPAC Name: 4-prop-2-enoxybenzaldehyde | CAS Registry Number: 40663-68-1
Synonyms: p-(Allyloxy)benzaldehyde, p-Allyloxybenzaldehyde, 4-(Allyloxy)benzaldehyde, Benzaldehyde, 4-(2-propenyloxy)-, 544396_ALDRICH, ALBB-001171, NSC44013, EINECS 255-027-2, SBB007994, ZINC01676478, FR-0715

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TYNJQOJWNMZQFZ-UHFFFAOYSA-N

• 5-Hydroxy-1-tetralone
IUPAC Name: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 28315-93-7
Synonyms: 219975_ALDRICH, ZINC03861568, EINECS 248-958-0, CID119921, SDCCGMLS-0066118.P001, 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-, ST5406550, 3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone, 1,2,3,4-Tetrahydro-5-hydroxynaphthalen-1-one

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YPPZCRZRQHFRBH-UHFFFAOYSA-N

• 3-(Dimethylamino)-1-(2-pyridyl)-2-propen-1-one
IUPAC Name: (E)-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one | CAS Registry Number: 66521-54-8
Synonyms: 3-(Dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one, (E)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one, (2E)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one, AC1NSSFC, PubChem23485, SureCN1424, 1-(2-Pyridyl)-3-dimethylamino-2-propen-1-one, 511676_ALDRICH, MolPort-002-870-446, BB_SC-5687, ACN-P000955, BBL010461, CCG-42471, SBB083302, STK719875, ZINC00109815, AKOS002682439, 2-[3-(Dimethylamino)acryloyl]pyridine, ACN-000283, QC-4494

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BWERGHWJEBQNQV-SOFGYWHQSA-N

• (4-Bromophenyl)(cyclopropyl)methanol
IUPAC Name: (4-bromophenyl)-cyclopropylmethanol | CAS Registry Number: 70289-39-3
Synonyms: Maybridge1_000148, MixCom1_000280, EINECS 274-546-5, p-Bromo-alpha-cyclopropylbenzyl alcohol, Benzenemethanol, 4-bromo-.alpha.-cyclopropyl-, ST5443612, SR-01000643790-1

Molecular Formula: C10H11BrOMolecular Weight: 227.097740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PLVQKMYLBFYJHT-UHFFFAOYSA-N

• 7-Ethylindole
IUPAC Name: 7-ethyl-1H-indole | CAS Registry Number: 22867-74-9
Synonyms: 46086_FLUKA, ZINC02516806, SBB007573, CID2724711, E-7880

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PIIZLMYXLGYWTN-UHFFFAOYSA-N

• 3-[(4-Chlorophenyl)sulfonyl]-2-Methylpropanoic Acid
IUPAC Name: 3-(4-chlorophenyl)sulfonyl-2-methylpropanoic acid | CAS Registry Number: 254749-03-6
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-2-methylpropanoic acid, Maybridge1_007382, AC1MCAH0, Oprea1_642434, CTK4F5875, HMS562H12, MolPort-000-146-303, SEW01356, SBB102608, AKOS009569639, AG-E-78081, KB-180065, 3-(4-chlorophenyl)sulfonyl-2-methylpropanoic acid, Propanoic acid,3-[(4-chlorophenyl)sulfonyl]-2-methyl-

Molecular Formula: C10H11ClO4SMolecular Weight: 262.709940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GTJGBRDKIRIHFW-UHFFFAOYSA-N

• 6-Chloropurine riboside
IUPAC Name: (2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 2004-06-0
Synonyms: Chloropurine riboside, 6-Chloronebularine, 6-Chloropurinosine, 6-Chloropurine ribonucleoside, C8276_SIGMA, 852481_ALDRICH, EINECS 217-904-8, 6-Chloro-9-ribofuranosyl-9H-purine, AIDS022620, 9H-Purine, 6-chloro-9-ribofuranosyl-, AIDS-022620, NSC 4910, BRN 0040573, EINECS 226-438-4, ZINC00241780, 6-Chloropurine-9-beta-D-ribofuranoside, 6-Chloro-9-beta-D-ribofuranosyl-9H-purine, ST057090, TL806190, AI3-50219

Molecular Formula: C10H11ClN4O4Molecular Weight: 286.671740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: XHRJGHCQQPETRH-KQYNXXCUSA-N

• (S)-3-amino-4-(3-chloro-phenyl)-butyric acid HCl
IUPAC Name: (3S)-3-amino-4-(3-chlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-38-8
Synonyms: (S)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC58P, (S)-3-Amino-4-(3-chlorophenyl)butyric acid hydrochloride, MolPort-003-794-025, (3S)-3-amino-4-(3-chlorophenyl)butanoic Acid Hydrochloride, SBB064592, AKOS015890216, AK114880, KB-211428, TL8002181, I01-5195, (S)-3-Amino-4-(3-chloro-phenyl)-butyric acid hydrochloride

Molecular Formula: C10H13Cl2NO2Molecular Weight: 250.121720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: MRFPEMYQUCEGDY-FVGYRXGTSA-N

• 1-Acetyl-6-aminoindoline
IUPAC Name: 1-(6-amino-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 62368-29-0
Synonyms: NCIOpen2_001034, Oprea1_552062, A7675_SIGMA, NSC87623, CID258564, ZINC00153931

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LOZKZWIQDVEDCQ-UHFFFAOYSA-N

• 2-Methyl-3-Acetoxybenzoic Acid
IUPAC Name: 3-acetyloxy-2-methylbenzoic acid | CAS Registry Number: 168899-58-9
Synonyms: 3-Acetoxy-2-methylbenzoic acid, 2-Methyl-3-acetoxybenzoic acid, 3-acetyloxy-2-methylbenzoic acid, SBB063332, AMBA, AC1MXZKZ, ACMC-209dz2, AC1Q1L9V, SureCN6178884, KSC495O2N, 495255_ALDRICH, Jsp003420, CTK3J5726, 3-Acetoxy-2-Methyl-Benzoic Acid, MolPort-001-794-616, AC-594, ANW-22380, 3-(Acetyloxy)-2-methyl-benzoic Acid, AKOS015888713, AB07799

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHVJUPHCLWIPLZ-UHFFFAOYSA-N

• 2,3-Dimethoxy-6-formylbenzoic acid
IUPAC Name: 6-formyl-2,3-dimethoxybenzoic acid | CAS Registry Number: 519-05-1
Synonyms: Opianic acid, o-Veratric acid, 6-formyl-, Oprea1_163445, CBDivE_002320, NSC35546, 5,6-Dimethoxy-2-formylbenzoic acid, 5,6-Dimethoxyphthalaldehydic acid, AIDS012023, AIDS-012023, CID68210, EINECS 208-261-4, Benzoic acid, 6-formyl-2,3-dimethoxy-, NSC 35546, 6-Formyl- 2,3-dimethoxybenzoic acid, Phthalaldehydic acid, 5,6-dimethoxy-, ST5411471, Phthalaldehydic acid, 5,6-dimethoxy- (8CI), Benzoic acid, 6-formyl-2,3-dimethoxy- (9CI)

Molecular Formula: C10H10O5Molecular Weight: 210.183400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HVXXOIGTXJOVON-UHFFFAOYSA-N

• 5-(2-bromoethyl)-2,3-dihydrobenzofuran
IUPAC Name: 5-(2-bromoethyl)-2,3-dihydro-1-benzofuran | CAS Registry Number: 127264-14-6
Synonyms: 5-(2-Bromoethyl)-2,3-dihydrobenzofuran, 5-(2-bromoethyl)-2,3-dihydro-1-benzofuran, SBB054960, 5-(2-bromo-ethyl)-2,3-dihydro-benzofuran, 5-(2-bromoethyl)-2,3-dihydrobenzo[b]furan, PubChem6953, ACMC-1BZDY, SureCN1317917, KSC174K0D, Jsp001718, CTK0H4501, MolPort-001-761-188, ANW-44824, STL373178, ZINC12953895, AKOS005146233, AC-1164, AG-C-04570, AG-D-56896, MCULE-1872408566

Molecular Formula: C10H11BrOMolecular Weight: 227.097740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JRKZQRRYNCMSCB-UHFFFAOYSA-N

• 8-Amino-6-MethoxyQuinoline
IUPAC Name: 6-methoxyquinolin-8-amine | CAS Registry Number: 90-52-8
Synonyms: Amichin, 8-Amino-6-methoxyquinoline, 6-Methoxy-8-quinolinamine, 6-Methoxy-8-aminoquinoline, 6-Methoxy-8-quinolylamine, 8-Quinolinamine, 6-methoxy-, 8-Quinolineamine, 6-methoxy-, NSC13573, EINECS 202-001-3, QUINOLINE, 8-AMINO-6-METHOXY-, WLN: T66 BNJ HO1 JZ, NSC 13573, AIDS011310, NSC 119507, AIDS-011310, ZERO/008507, BRN 0133397, NSC119507, ZINC00403451, 8-Quinolinamine, 6-methoxy- (9CI)

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGGTVPCTAKYCSQ-UHFFFAOYSA-N

• 3-(4-methoxy-phenyl)-isoxazol-5-ylamine
IUPAC Name: 3-(4-methoxyphenyl)-1,2-oxazol-5-amine | CAS Registry Number: 86685-98-5
Synonyms: 3-(4-methoxyphenyl)isoxazol-5-amine, 3-(4-methoxyphenyl)-1,2-oxazol-5-amine, F1984-0147, 3-(4-methoxyphenyl)isoxazole-5-ylamine, AC1N9I9W, SureCN1144008, 644951_ALDRICH, CTK5F7096, MolPort-003-355-924, ALBB-005934, SBB025112, STK352054, ZINC03704520, 5-Amino-3-(4-methoxyphenyl)isoxazole, AKOS000261613, MCULE-5879131729, AM804436, BP-20192, BB 0218466, FT-0679166

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PHOQFLXRNUDPHQ-UHFFFAOYSA-N


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