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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-Ethylanisate
IUPAC Name: ethyl 2-methoxybenzoate | CAS Registry Number: 7335-26-4
Synonyms: Ethyl o-anisate, Ethyl ortho-anisate, o-Anisic acid, ethyl ester, Benzoic acid, 2-methoxy-, ethyl ester, CID81784, EINECS 230-843-1, ZINC02560581, AI3-30234, ST5406844

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

InChIKey: FNODWEPAWIJGPM-UHFFFAOYSA-N

• 2-(4-Bromomethyl phenyl) Propionic Acid
IUPAC Name: (2R)-2-[4-(bromomethyl)phenyl]propanoate | CAS Registry Number: 111128-12-2
Synonyms: ZINC02576953, ZINC04283572, CID7167707

Molecular Formula: C10H10BrO2-Molecular Weight: 242.089200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QQXBRVQJMKBAOZ-SSDOTTSWSA-M

• 2-Hydroxy-2-Methyl-Phenyl-Propane-1-One
IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one | CAS Registry Number: 7473-98-5
Synonyms: HMPP, 2-Hydroxy-2-methylpropiophenone, 405655_ALDRICH, EINECS 231-272-0, 1-Phenyl-2-hydroxy-2-methylpropan-1-one, NSC 401744, NSC401744, 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-, 2-Hydroxy-2-methyl-1-phenyl-1-propanone, LS-123055, TL8005139, 126038-32-2, 71833-40-4, 75718-48-8

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

InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N

• 2-Aminophenol hemisulfate salt
IUPAC Name: 2-aminophenol sulfate | CAS Registry Number: 67845-79-8
Synonyms: o-Aminophenol, hemisulfate, EINECS 267-335-4, Bis((2-hydroxyphenyl)ammonium) sulphate, Phenol, 2-amino-, sulfate (2:1) (salt)

Molecular Formula: C12H14N2O6S-2Molecular Weight: 314.314360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: SHUIDGXTJAQFJO-UHFFFAOYSA-L

• 3-Methoxy-4-HydroxyPropiophenone
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)propan-1-one | CAS Registry Number: 1835-14-9
Synonyms: Propioguaiacol, Propioguaiacone, Propiovanillone, 4-Hydroxy-3-methoxypropiophenone, 3-Methoxy-4-hydroxypropiophenone, MLS000776976, MLS001049078, AIDS113491, BB_NC-0331, AIDS-113491, NSC16691, NSC 16691, ZINC00494463, Propiophenone, 4'-hydroxy-3'-methoxy, 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl), SMR000386916, 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-, 4'-HYDROXY-3'-METHOXYPROPIOPHENONE, 1-(4-hydroxy-3-methoxyphenyl)-1-propanone, 1-(4-Hydroxy-3-methoxy-phenyl)-propan-1-one

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

InChIKey: FBGXENQFSMMBNY-UHFFFAOYSA-N

• 2-Fluoroadenosine
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 146-78-1
Synonyms: 2-Far, 2-Fas, F-Ara-A, Ambap1078, Fludarabine des-phosphate, ADENOSINE, 2-FLUORO-, MLS001066367, F2773_SIGMA, SRI 727, 656402_ALDRICH, CHEBI:39740, NSC 30605, BRN 0043956, PDSP1_001071, PDSP2_001055, 6-Amino-2-fluoro-9-beta-D-ribofuranosylpurine, AI3-52599, NCGC00181336-01, LS-15139, SMR000471849

Molecular Formula: C10H12FN5O4Molecular Weight: 285.231783 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N

• 1-(4'-Sulphophenyl)-3-Methyl-5-Pyrazolone
IUPAC Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid | CAS Registry Number: 89-36-1
Synonyms: Pyrazoline G, 134163_ALDRICH, NSC4752, NSC26429, EINECS 201-901-3, NSC 26429, 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone, AI3-08532, 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, A2558/0108985, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-benzenesulfonic acid, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, p-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, Benzenesulfonic acid, p-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (8CI), 74583-53-2

Molecular Formula: C10H10N2O4SMolecular Weight: 254.262400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CWJQQASJVVAXKL-UHFFFAOYSA-N

• 1-Acetyl-5-nitroindoline
IUPAC Name: 1-(5-nitro-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 33632-27-8
Synonyms: Maybridge1_006268, NCIOpen2_005414, Oprea1_261451, INDOLINE, 1-ACETYL-5-NITRO-, CCRIS 6767, EINECS 251-609-5, NSC 87626, 1H-Indole, 1-acetyl-2,3-dihydro-5-nitro-, NSC87626, BRN 0217294, ZINC04015944, LS-83443, ST013851, EU-0069230, 5-20-06-00253 (Beilstein Handbook Reference), InChI=1/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H

Molecular Formula: C10H10N2O3Molecular Weight: 206.198000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OJKKTNFCWMBYMT-UHFFFAOYSA-N

• 4-(Morpholine-4-Sulfonyl)-Benzenesulfonyl Chloride
IUPAC Name: 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride | CAS Registry Number: 465514-13-0
Synonyms: 4-(morpholine-4-sulfonyl)benzenesulfonyl chloride, 4-(morpholin-4-ylsulfonyl)benzenesulfonyl chloride, AC1MCWC4, AC1Q3VL2, 4-morpholin-4-ylsulfonylbenzenesulfonyl Chloride, CTK4I9447, MolPort-000-144-977, AKOS001054779, AG-F-59770, MCULE-5704794029, MO00516, QC-5471, KB-187610, FT-0616825, EN300-08977, 4-(morpholinosulfonyl)benzene-1-sulfonyl chloride, 4-(Morpholine-4-sulphonyl)-benzenesulphonyl chloride, T5833295

Molecular Formula: C10H12ClNO5S2Molecular Weight: 325.788980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: ZZSBUDUHESWZJB-UHFFFAOYSA-N

• 3-Methyl-2-oxobutyric acid calcium salt
IUPAC Name: calcium 3-methyl-2-oxobutanoate | CAS Registry Number: 51828-94-5
Synonyms: EINECS 257-456-0, 3-Methyl-2-oxobuttersaeure calciumsalz, Calcium 3-methyl-2-oxobutyrate (1:2), 759-05-7

Molecular Formula: C10H14CaO6Molecular Weight: 270.292560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: IMZGMVJQWNJKCI-UHFFFAOYSA-L

• 4-Nitro-L-phenylalanine Methyl Ester Hydrochloride
IUPAC Name: methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride | CAS Registry Number: 17193-40-7
Synonyms: L-4-Nitrophenylalanine methyl ester hydrochloride, L-4-Nitrophenylalaninemethylesterhydrochloride, Methyl 4-nitro-L-phenylalaninate hydrochloride, p-Nitrophenylalanine methyl ester hydrochloride, (S)-(+)-4-Nitrophenylalanine methyl ester hydrochloride, SureCN240404, KSC496M7L, H-Phe(4-NO2)-OMe.HCl, 658421_ALDRICH, Jsp003511, H-Phe(4'-NO2)-OMe HCl, CTK3J6675, MolPort-005-932-821, ACT04408, ANW-22543, AKOS015845829, AKOS015891210, AC-3475, AM83109, AK-49480

Molecular Formula: C10H13ClN2O4Molecular Weight: 260.674220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BTHMRXRBXYHLRA-FVGYRXGTSA-N

• 2-Ethyl-6-methylphenyl isocyanate
IUPAC Name: 1-ethyl-2-isocyanato-3-methylbenzene | CAS Registry Number: 75746-71-3
Synonyms: 1-ethyl-2-isocyanato-3-methylbenzene, AG-H-02022, ZINC00164843, ACMC-1BEKJ, AC1MC5LX, AC1Q2SW2, 478792_ALDRICH, 6-ethyl-2-methylbenzenisocyanate, CTK5E1947, MolPort-000-146-164, SBB087537, AKOS009158419, 1-ethyl-2-isocyanato-3-methyl-benzene, SB01845, Benzene,1-ethyl-2-isocyanato-3-methyl-, KB-68622, FT-0612256, A838502, I14-48850, 2-Ethyl-6-methylphenylisocyanate;6-Methyl-2-ethylphenyl isocyanate;

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YMAVXDRFOILNKI-UHFFFAOYSA-N

• 3-Chloro-L-Tyrosine
IUPAC Name: (2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid | CAS Registry Number: 7423-93-0
Synonyms: 3-Chloro-L-tyrosine, 512443_ALDRICH, EINECS 231-050-3

Molecular Formula: C9H10ClNO3Molecular Weight: 215.633600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ACWBBAGYTKWBCD-ZETCQYMHSA-N

• 2-Bromo-1-(3-chloro-4-methylphenyl)propan-1-one
IUPAC Name: 2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one | CAS Registry Number: 175135-93-0
Synonyms: BTB 09098, ZINC00153247, CID2774950, FS000848, 2-Bromo-3'-chloro-4'methyl propiophenone

Molecular Formula: C10H10BrClOMolecular Weight: 261.542800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RGMFWCVOMGKIJM-UHFFFAOYSA-N

• 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carbohydrazide
IUPAC Name: 5-methyl-2-phenyltriazole-4-carbohydrazide | CAS Registry Number: 175135-03-2
Synonyms: 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carbohydrazide, 5-methyl-2-phenyl-1,2,3-triazole-4-carbohydrazide, ZINC00152689, AC1MCOAX, Maybridge1_001203, MLS000833638, CTK0H3499, HMS544O15, MolPort-000-141-625, HMS2789N20, BTB03569, SBB095426, AKOS000114187, AG-E-24740, RP05041, KB-73599, SMR000457159, 5-methyl-2-phenyl-4-triazolecarbohydrazide, 5-methyl-2-phenyltriazole-4-carbohydrazide, BB 0246695

Molecular Formula: C10H11N5OMolecular Weight: 217.227240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MJJMGWDMMYKRMM-UHFFFAOYSA-N

• 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
IUPAC Name: 5-methyl-2-phenyltriazole-4-carboxamide | CAS Registry Number: 36401-53-3
Synonyms: 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide, 5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide, ZINC00152692, AC1MCOB5, Maybridge1_001029, SureCN5010589, MLS000833640, CTK4H6402, HMS544G17, MolPort-000-141-627, HMS2776F15, BTB03582, AKOS000114227, AG-F-26785, RP04366, SDCCGMLS-0065845.P001, 5-methyl-2-phenyl-4-triazolecarboxamide, 5-methyl-2-phenyltriazole-4-carboxamide, KB-43722, SMR000457161

Molecular Formula: C10H10N4OMolecular Weight: 202.212600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IHPOVUXVIZRYAC-UHFFFAOYSA-N

• 3-Methylindan-1-one
IUPAC Name: 3-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 6072-57-7
Synonyms: 3-Methyl-1-indanone, 3-Methylindanone, 1-Indanone, 3-methyl-, 391271_ALDRICH, NSC89554, 1H-Inden-1-one, 2,3-dihydro-3-methyl-, CID259560, JPV 00046, TL8003848

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XVTQSYKCADSUHN-UHFFFAOYSA-N

• 2-Isopropylphenyl isocyanate
IUPAC Name: 1-isocyanato-2-propan-2-ylbenzene | CAS Registry Number: 56309-56-9
Synonyms: o-Isopropylphenyl isocyanate, 478989_ALDRICH, 2-ISOPROPYLPHENYLISOCYANATE, EINECS 260-105-4, ZINC02560432

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MWBSQVPLYJZPTG-UHFFFAOYSA-N

• 2-Phenyl-4-Methylimidazole
IUPAC Name: 5-methyl-2-phenyl-1H-imidazole | CAS Registry Number: 827-43-0
Synonyms: 2-Phenyl-4-methylimidazole, 4-Methyl-2-phenylimidazole, 4-Methyl-2-phenyl-1H-imidazole, 375365_ALDRICH, 1H-Imidazole, 4-methyl-2-phenyl-, EINECS 212-571-5, SBB003991, STK192082, ZINC04705523, AC-907/25014273

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

InChIKey: TYOXIFXYEIILLY-UHFFFAOYSA-N

• 3-(3-Chlorophenyl)thiomorpholine
IUPAC Name: 3-(3-chlorophenyl)thiomorpholine | CAS Registry Number: 864685-25-6
Synonyms: 3-(3-Chloro-phenyl)-thiomorpholine, FS011426

Molecular Formula: C10H12ClNSMolecular Weight: 213.726980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VWWOSKABRMUGCB-UHFFFAOYSA-N

• 4-Isopropylbenzoic acid
IUPAC Name: 4-propan-2-ylbenzoic acid | CAS Registry Number: 536-66-3
Synonyms: Cuminic acid, CUMIC ACID, p-Isopropylbenzoic acid, p-cumic acid, p-Cumate, Benzoic acid, p-isopropyl-, 4-(1-Methylethyl)benzoic acid, Benzoic acid, 4-(1-methylethyl)-, 4-(propan-2-yl)benzoic acid, 268402_ALDRICH, NSC 1907, CHEBI:28122, EINECS 208-642-5, NSC1907, AIDS018015, AIDS-018015, Benzoic acid, p-isopropyl- (8CI), NSC20083, BRN 1907514, AI3-17970

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

InChIKey: CKMXAIVXVKGGFM-UHFFFAOYSA-N

• (p-Acetylphenoxy)acetic acid
IUPAC Name: 2-(4-acetylphenoxy)acetic acid | CAS Registry Number: 1878-81-5
Synonyms: 4-Acetylphenoxyacetic acid, Acetic acid, (4-acetylphenoxy)-, 393819_ALDRICH, P-ACETYLPHENOXYACETIC ACID, NSC9356, AIDS017981, AIDS-017981, EINECS 217-524-2, AI3-15464, ST5407816

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

InChIKey: KMXZEXUYXUMHEQ-UHFFFAOYSA-N

• 1,2-Dimethylindole
IUPAC Name: 1,2-dimethylindole | CAS Registry Number: 875-79-6
Synonyms: Indole, 1,2-dimethyl-, N-Methyl-2-methylindole, 1,2-DIMETHYLINDOLE, 1,2-Dimethyl-1H-indole, 1H-Indole, 1,2-dimethyl-, D165603_ALDRICH, Indole, 1,2-dimethyl- (8CI), NSC62087, EINECS 212-877-9, NSC 62087, STK301478, ZINC01081266, 1H-Indole, 1,2-dimethyl- (9CI), D-5348, InChI=1/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BJMUOUXGBFNLSN-UHFFFAOYSA-N

• 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid
IUPAC Name: (6R,7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 37539-03-0
Synonyms: (6R-trans)-7-Amino-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R-trans)-7-Amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, AC1O46OY, SureCN8973838, SureCN10594330, CTK1C4891, EINECS 253-547-4, AG-F-32026, 7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic Acid, (6R,7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-Amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R,7R)- (9CI), 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R-trans)-;1H-1,2,3-Triazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidderiv.;7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid;

Molecular Formula: C10H11N5O3S2Molecular Weight: 313.356040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: MLOZJRLUNNFSGD-HZGVNTEJSA-N

• 4-Phenoxybutyryl Chloride
IUPAC Name: 4-phenoxybutanoyl chloride | CAS Registry Number: 5139-89-9
Synonyms: 4-Phenoxybutyryl chloride, CID78819, EINECS 225-903-9, ZINC02389461

Molecular Formula: C10H11ClO2Molecular Weight: 198.646140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SYLRFDTUTMLVNM-UHFFFAOYSA-N

• 6-Methoxy-1-Indanone
IUPAC Name: 6-methoxy-2,3-dihydroinden-1-one | CAS Registry Number: 13623-25-1
Synonyms: 6-Methoxy-1-indanone, 175250_ALDRICH, NSC338231, CID334036, ZINC00388443, ST5405899, TL8000839

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

InChIKey: UJGDLLGKMWVCPT-UHFFFAOYSA-N

• 2-Fluoro-5-(trifluoromethoxy)benzylae
IUPAC Name: [2-fluoro-5-(trifluoromethyl)phenyl]methanamine | CAS Registry Number: 199296-61-2
Synonyms: JRD-0378, 2-Fluoro-5-(trifluoromethyl)benzylamine, ST5407112, [2-Fluoro-5-(trifluoromethyl)phenyl]methanamine

Molecular Formula: C8H7F4NMolecular Weight: 193.141493 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N

• 3-(3-Methylphenyl)propionic acid
IUPAC Name: 3-(3-methylphenyl)propanoic acid | CAS Registry Number: 3751-48-2
Synonyms: 3-Methylhydrocinnamic acid, 656178_ALDRICH, Propionic acid, 3-[3-methylphenyl]-, FS000856

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

InChIKey: VWXVTHDQAOAENP-UHFFFAOYSA-N

• 4-Amino Salicylic Acid Calcium Salt
IUPAC Name: calcium 4-amino-2-hydroxybenzoate | CAS Registry Number: 133-15-3
Synonyms: CALCIUM-P-AMINO SALICYLATE

Molecular Formula: C14H12CaN2O6Molecular Weight: 344.332880 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: XDWVNCOPMIEDJK-UHFFFAOYSA-L

• 3,4,5-Trimethoxybenzonitrile
IUPAC Name: 3,4,5-trimethoxybenzonitrile | CAS Registry Number: 1885-35-4
Synonyms: 2,4,5-Trimethoxybenzonitrile, 3,4,5-Trimethoxybenzenecarbonitrile, BENZONITRILE, 3,4,5-TRIMETHOXY-, 132160_ALDRICH, EINECS 217-550-4, NSC408924, AIDS166847, NSC 408924, AIDS-166847, CID15892, Benzonitrile, 3,4,5-tri-methoxy-, BRN 0979686, SBB007562, ZINC00388209, LS-38790, TL8001531, 4-10-00-02024 (Beilstein Handbook Reference), AE-641/00664033, InChI=1/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OSBQUSPVORCDCU-UHFFFAOYSA-N

• 1-Anilionaphthalene-8-sulphonic acid magnesium salt
IUPAC Name: 8-(anilino)naphthalene-1-sulfonic acid | CAS Registry Number: 18108-68-4
Synonyms: Phenylperi acid, 2ans, Peri acid, phenyl-, N-Phenyl peri acid, ANSA, 1ow4, 8-Anilino-1-naphthalenesulfonic acid, CBMicro_015520, 1-Anilino-8-naphthalenesulfonate, Anilinonaphthalenesulfonic acid, 1-anilino-8-naphthalene sulfonate, 1-Anilino-8-napthalenesulfonate, MLS001066405, 1-Aniline-8-naphthalene sulfonate, 1-Anilino-8-naphthalenesulfonic acid, A1028_SIAL, 8-Anilinonaphthalene-1-sulfonate, CHEBI:39708, NSC1746, 8-Anilinonaphthalene-1-sulphonic acid

Molecular Formula: C16H13NO3SMolecular Weight: 299.344320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N

• 5-Chlorotryptamine
IUPAC Name: 2-(5-chloro-1H-indol-3-yl)ethanamine | CAS Registry Number: 3764-94-1
Synonyms: nchembio.141-comp2a, CBMicro_013645, Oprea1_792077, ZERO/005526, 5-Chloro-1H-indole-3-ethylamine, ALBB-004962, EINECS 223-184-6, 1H-Indole-3-ethanamine, 5-chloro-, 2-(5-chloro-1H-indol-3-yl)ethanamine, 2-(5-Chloro-1H-indol-3-yl)ethylamine, EU-0011875

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

InChIKey: FVQKQPVVCKOWLM-UHFFFAOYSA-N

• 6-Methylthiochroman-4-one
IUPAC Name: 6-methyl-2,3-dihydrothiochromen-4-one | CAS Registry Number: 6948-34-1
Synonyms: 630683_ALDRICH, NSC55761, 6-Methylbenzothiopyran-4(4H)-one, CID81380, EINECS 230-114-8, ST5410599, 2,3-Dihydro-6-methyl-4H-1-benzothiopyran-4-one

Molecular Formula: C10H10OSMolecular Weight: 178.250800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BYWVVMGBFKFYMY-UHFFFAOYSA-N

• 7-Cyano-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile | CAS Registry Number: 149355-52-2
Synonyms: 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile, 1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile, 1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile, F2167-0036, SureCN351435, CHEMBL27162, CHEBI:135133, MolPort-002-499-450, ANW-75170, ZINC12647762, AKOS005207179, AB13377, AG-D-95467, AK-33375, KB-46330, FT-0643436, FT-0694289, A-2599, C90105, S14-2482

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

InChIKey: LJFNUFCUPDECPC-UHFFFAOYSA-N

• 3-Oxo-3-pyridin-3-yl-propionic acid ethyl ester
IUPAC Name: ethyl 3-oxo-3-pyridin-3-ylpropanoate | CAS Registry Number: 6283-81-4
Synonyms: NSC7725, ALBB-006289, NSC32400, CID222197, SBB010886, ZINC01688320, ethyl 3-oxo-3-pyridin-3-ylpropanoate, Pyridin-3-propionic acid, 3-oxo-, ethyl(ester), 3-Pyridinepropanoic acid, .beta.-oxo-, ethyl ester

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: APQGYFNHIWMRIJ-UHFFFAOYSA-N

• 4-Tert-Butyl-2,6-dinitrophenol
IUPAC Name: 4-tert-butyl-2,6-dinitrophenol | CAS Registry Number: 4097-49-8
Synonyms: 2,6-Dinitro-4-tert-butylphenol, 4-tert-Butyl-2,6-dinitrophenol, 2,6-Dinitro-p-(tert-butyl)phenol, NSC21491, EINECS 223-856-9, Phenol, 4-tert-butyl-2,6-dinitro-, Phenol, 4-(1,1-dimethylethyl)-2,6-dinitro-, 4-(TERT-BUTYL)-2,6-DINITROPHENOL, AI3-19044, InChI=1/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H

Molecular Formula: C10H12N2O5Molecular Weight: 240.212680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NJBDTWSOYUZQPM-UHFFFAOYSA-N

• 4-Propyl Benzoic Acid
IUPAC Name: 4-propylbenzoic acid | CAS Registry Number: 2438-05-3
Synonyms: 4-n-Propylbenzoic acid, 4-Propylbenzoic acid, p-n-Propyl benzoic acid, 332976_ALDRICH, NSC168993, SBB006558, NCGC00166226-01

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

InChIKey: ATZHGRNFEFVDDJ-UHFFFAOYSA-N

• 2-Propoxybenzoic acid
IUPAC Name: 2-propoxybenzoate | CAS Registry Number: 2100-31-4
Synonyms: ZINC02572613, CID7021529

Molecular Formula: C10H11O3-Molecular Weight: 179.192540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OXOWWPXTTOCKKU-UHFFFAOYSA-M

• 2,3-Dimethylindole
IUPAC Name: 2,3-dimethyl-1H-indole | CAS Registry Number: 91-55-4
Synonyms: 1H-Indole, 2,3-dimethyl-, 2,3-Dimethyl-1H-indole, INDOLE, 2,3-DIMETHYL-, 120812_ALDRICH, EINECS 202-076-2, 2,3-DIMETHYLINDOLE, TECH, NSC 24936, NSC24936, ZINC01081072, LS-82921, ST5308004, D-5350, InChI=1/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H

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

InChIKey: PYFVEIDRTLBMHG-UHFFFAOYSA-N

• 2,5-Diethoxy-4-[(4-Methylphenyl)Thil]-(T-4)Tetrachlorozinecate Benzenediazonium
IUPAC Name: zinc 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium tetrachloride | CAS Registry Number: 38656-51-8
Synonyms: NSC 60652, EINECS 254-062-0, CID162318, 2,5-Diethoxy-4-(p-tolylthio)benzenediazonium chloride zinc chloride(2:1), 4-(p-Tolylthio)-2,5-diethoxybenzenediazonium chloride, zinc chloride, 4-Diazo-2,5-diethoxyphenyl p-tolyl sulfide, chloride, zinc chloride(2:1), 4-Diazonium-2,5-diethoxy-1-(4-tolylmercapto)benzene, zinc chloride salt, 2,5-Diethoxy-4-((4-methylphenyl)thio)benzenediazonium tetrachlorozincate (2:1), 162142-54-3, 64608-83-9, Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, (beta-4)-tetrachlorozincate(2-) (2:1), Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, (T-4)-tetrachlorozincate(2-) (2:1)

Molecular Formula: C34H38Cl4N4O4S2ZnMolecular Weight: 838.040920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: KCIBXAZYWVZCHR-UHFFFAOYSA-J

• 5-Methyl-3-Phenyl-4-Isoxazolamine
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazol-4-amine | CAS Registry Number: 21169-65-3
Synonyms: 5-methyl-3-phenyl-1,2-oxazol-4-amine, ZINC00129012, AC1MCN1F, AC1Q2FIY, Maybridge3_007577, SureCN657826, CTK4E6003, MolPort-000-147-095, HMS1452L15, 5-Methyl-3-phenylisoxazol-4-amine, 4-Amino-5-methyl-3-phenylisoxazole, 4-Isoxazolamine,5-methyl-3-phenyl-, CCG-55506, SBB088916, 5-methyl-3-phenylisoxazole-4-ylamine, AKOS006229432, AG-E-55299, TL01028, IDI1_018964, KB-73606

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

InChIKey: QWMOVJWPTZATFS-UHFFFAOYSA-N

• 1-(2-Fluoro-4-nitrophenyl)piperazine
IUPAC Name: 1-(2-fluoro-4-nitrophenyl)piperazine | CAS Registry Number: 154590-33-7
Synonyms: 1-(2-fluoro-4-nitrophenyl)piperazine, PIPERAZINE, 1-(2-FLUORO-4-NITROPHENYL)-, AC1MD3OJ, AGN-PC-0D3EFK, SureCN522009, Oprea1_171822, CTK4C8337, A1956/0082244, MolPort-000-155-770, (2-fluoro-4-nitrophenyl)piperazine, ANW-56172, SBB096816, STK666951, AKOS003261289, AB09281, AG-E-02580, MCULE-7243381894, RP05365, 1-(2-fluoro-4-nitro-phenyl)-piperazine, AK-33448

Molecular Formula: C10H12FN3O2Molecular Weight: 225.219583 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZILOTWJFFLIFMZ-UHFFFAOYSA-N

• 3-(2-Methylphenyl)propionic acid
IUPAC Name: 3-(2-methylphenyl)propanoic acid | CAS Registry Number: 22084-89-5
Synonyms: 2-Methylhydrocinnamic acid, 3-[2-Methylphenyl]propionic acid, 433330_ALDRICH, 3-(2-Methylphenyl)propanoic acid, CID30938, BBV-089851, 2-METHYL-BETA-PHENYLPROPANOIC ACID

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

InChIKey: JIRKNEAMPYVPTD-UHFFFAOYSA-N

• 3,5-Dimethylphenylacetic acid
IUPAC Name: 2-(3,5-dimethylphenyl)acetate | CAS Registry Number: 42288-46-0
Synonyms: ZINC02572191, CID7021478

Molecular Formula: C10H11O2-Molecular Weight: 163.193140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HDNBKTWQBJJYPD-UHFFFAOYSA-M

• 4-N-butylphenylboronic Acid
IUPAC Name: (4-butylphenyl)boronic acid | CAS Registry Number: 145240-28-4
Synonyms: 4-Butylphenylboronic acid, 4-n-Butylphenylboronic acid, 4-Butylbenzeneboronic Acid, 4-Butylphenylboronicacid, (4-Butylphenyl)Boranediol, AG-D-89023, (4-butylphenyl)boronic Acid, PubChem18523, ACMC-209cue, AC1N2RDA, SureCN152142, AC1Q2VE3, AMTB386, 4-N-Butylphenylboronic acid,, KSC174K1F, 521493_ALDRICH, CHEMBL555064, Jsp002653, CTK0H4512, CHEBI:660042

Molecular Formula: C10H15BO2Molecular Weight: 178.035900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UGZUUTHZEATQAM-UHFFFAOYSA-N

• 4-(N-Ethyl-N-2-methanesulfonylaminoethyl)-2-methylphenylenediamine
IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid | CAS Registry Number: 25646-71-3
Synonyms: Kodak CD-3, CD III, CD 3, FCD 03, EINECS 247-161-5, CD 003, NSC 164932, LS-90070, N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulfonamide sulfate (2:3), N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulphonamide sesquisulphate, Methanesulfonamide, N-(2-((4-amino-3-methylphenyl)ethylamino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-(2-(4-amino-N-ethyl-m-toluidino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3), N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide sulfate (2:3), 161061-60-5, 92-09-1

Molecular Formula: C24H48N6O16S5Molecular Weight: 836.993520 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 22

InChIKey: NPDFXFLCEDDWEG-UHFFFAOYSA-N

• 6-Nitroveratric Acid Methyl Ester
IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate | CAS Registry Number: 26791-93-5
Synonyms: Oprea1_288439, Methyl 4,5-dimethoxy-2-nitrobenzoate, EINECS 248-008-5, ZINC00056523, ST5319772, TL8002130, 4,5-Dimethoxy-2-nitrobenzoic acid, methyl ester, Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester, InChI=1/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H

Molecular Formula: C10H11NO6Molecular Weight: 241.197440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

• (S)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(2-chlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-36-6
Synonyms: (S)-3-AMINO-4-(2-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, (S)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride, AC1MC58D, CTK8E9393, MolPort-003-794-019, (3S)-3-amino-4-(2-chlorophenyl)butanoic Acid Hydrochloride, AK114878, KB-211421, TL8002180, 2-Chloro-L-beta-homophenylalanine hydrochloride, I01-5194

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

InChIKey: POAZZXSNVUMPBP-QRPNPIFTSA-N

• (r)-2-hydroxy-4-phenylbutanoic Acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 29678-81-7
Synonyms: 420085_ALDRICH, 2-Hydroxy-4-phenylbutyric acid, (R)-2-Hydroxy-4-phenylbutyric acid, TL8002311, N-1121

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
IUPAC Name: 2,2-dimethyl-3H-1-benzofuran-7-ol | CAS Registry Number: 1563-38-8
Synonyms: Carbofuran phenol, Carbofuranphenol, Carbofuran 7-phenol, Carbofuran-7-phenol, RCRA waste no. U367, HSDB 5839, 347256_ALDRICH, CCRIS 9206, CHEBI:38474, EINECS 216-350-4, 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, NIA 10272, AIDS170430, BB_NC-0467, AIDS-170430, ZINC03881547, 2,3-Dihydro-2,2-dimethylbenzofuran-7-ol, CID15278, 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, AI3-27488

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

InChIKey: WJGPNUBJBMCRQH-UHFFFAOYSA-N


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