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J&K Chemical Ltd.

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Profile: JK Chemicals is a manufacturer of chemical compounds. We provide professional synthesis service for research chemicals, building blocks, reactive intermediates and specialty chemicals. Our products include heterocyclic, chiral, organometallic & organophosphorous compound, and fluorochemicals, organosilanes & silicones, amino acid & derivatives, natural product extracts & rare earth elements. We specialize in discovering new compounds & develop production scheme for specialty chemicals, unique chemicals, and pharmaceutical intermediates.

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• 6-Phenylpyridine-3-carboxylic acid
IUPAC Name: 6-phenylpyridine-3-carboxylic acid | CAS Registry Number: 29051-44-3
Synonyms: 6-Phenylnicotinic acid, EINECS 249-386-4, CC 21101

Molecular Formula: C12H9NO2Molecular Weight: 199.205360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DLFLQXUYRFIFOK-UHFFFAOYSA-N

• 5-Acetyl Uracil
IUPAC Name: 5-acetyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 6214-65-9
Synonyms: 5-Acetyluracil, 570648_ALDRICH, NSC34716, 5-Acetyl-1H-pyrimidine-2,4-dione, ZINC02517158, 3E-902

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YNYDWEIQSDFDLK-UHFFFAOYSA-N

• 4-Isopropylbenzyl Chloride
IUPAC Name: 1-(chloromethyl)-4-propan-2-ylbenzene | CAS Registry Number: 2051-18-5
Synonyms: 7-Chloro-p-cymene, p-Isopropylbenzyl chloride, p-Cymene, 7-chloro-, 4-Isopropylbenzyl chloride, p-Isopropyl benzyl chloride, 563277_ALDRICH, BB_SC-2505, CID74916, NSC33915, EINECS 218-114-6, NSC 33915, STK801403, Benzene, 1-(chloromethyl)-4-(methylethyl)-, 1-(chloromethyl)-4-(propan-2-yl)benzene, Benzene, 1-(chloromethyl)-4-(1-methylethyl)-

Molecular Formula: C10H13ClMolecular Weight: 168.663220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CYAKWEQUWJAHLW-UHFFFAOYSA-N

• 6-Benzyloxy Purine
IUPAC Name: 6-phenylmethoxy-7H-purine | CAS Registry Number: 57500-07-9
Synonyms: 6-Benzyloxypurine, 6-benzoxy-9H-purine, 6-Benzyloxy-9H-purine, Oprea1_781438, 387606_ALDRICH, CHEBI:331789, MolPort-003-931-561, NSC27309, CID853677, ZINC00156177, ZINC00395505, B3355, LT00453375

Molecular Formula: C12H10N4OMolecular Weight: 226.234000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZZZXGPGVDJDFCJ-UHFFFAOYSA-N

• 1-Methyl-3-indolyl-beta-D-galactopyranoside
IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-methylindol-3-yl)oxyoxane-3,4,5-triol | CAS Registry Number: 207598-26-3
Synonyms: Green-beta-D-gal, N-Methylindolyl-beta-D-galactopyranoside, Green-|A-D-gal, SureCN233859, 67610_FLUKA, 67610_SIGMA, CTK8F0938, MolPort-003-938-566, N-Methylindolyl-|A-D-galactopyranoside, 1-Methyl-3-indolyl-|A-D-galactopyranoside, N-Methyl-3-indolyl-beta-D-galactopyranoside, W0585

Molecular Formula: C15H19NO6Molecular Weight: 309.314460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: FDECOIVNOJUVCV-GZBLMMOJSA-N

• 1,3,4,6-Tetra-O-Acetyl-2-O-Trifluoromethylsulfonyl-B-D-Mannopyranose(mannose Triflate)
IUPAC Name: [3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate | CAS Registry Number: 92051-23-5
Synonyms: MolPort-000-165-556, CID2782943, [3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl Acetate, 1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-beta-D-mannopyranose

Molecular Formula: C15H19F3O12SMolecular Weight: 480.364370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 15

InChIKey: OIBDVHSTOUGZTJ-UHFFFAOYSA-N

• 1h,1h,2h,2h-Perfluorohexyl Bromide
IUPAC Name: 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane | CAS Registry Number: 38436-14-5
Synonyms: 1H,1H,2H,2H-Perfluorohexyl bromide, 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane, AC1MC5E0, PC6085Y, 1-Bromo-2-(perfluorobutyl)ethane, MolPort-001-776-376, 1H,1H,2H,2H-Nonafluorohexyl bromide, AKOS016015463, KB-85147, FT-0607471, 1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane, A824149, 1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane 98%, 6-bromanyl-1,1,1,2,2,3,3,4,4-nonakis(fluoranyl)hexane

Molecular Formula: C6H4BrF9Molecular Weight: 326.985589 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: UDFSAZKDTBRQDY-UHFFFAOYSA-N

• 4-Amino-1,8-naphthalic anhydride
Synonyms: 235598_ALDRICH, Naphthalic anhydride, 4-amino-, NSC7564, EINECS 229-372-4, SBB000529, 4-Aminonaphthalene-1,8-dicarboxylic anhydride, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-amino-

Molecular Formula: C12H7NO3Molecular Weight: 213.188880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QIXHMCMCFSNKOG-UHFFFAOYSA-N

• 1,5,7-Triazabicyclo[4.4.0]dec-5-ene
IUPAC Name: 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine | CAS Registry Number: 5807-14-7
Synonyms: Hhpp, 345571_ALDRICH, 90605_FLUKA, EINECS 227-367-1, 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine, 2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-, 1,3,4,6,7,8-Hexahydro-2H-pyrimido(1,2-a)pyrimidine, TBD

Molecular Formula: C7H13N3Molecular Weight: 139.198220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FVKFHMNJTHKMRX-UHFFFAOYSA-N

• 2-Amino-3-Fluoro-5-(trifluoromethyl)pyridine
IUPAC Name: 3-fluoro-5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 852062-17-0
Synonyms: 2-Amino-3-fluoro-5-(trifluoromethyl)pyridine, 3-fluoro-5-(trifluoromethyl)pyridin-2-amine, SureCN119201, CTK5F4519, MAY00210, SBB089626, ZINC21304412, AKOS005063716, AB62559, AG-L-24637, RP03178, KB-19735, 3-Fluoro-5-trifluoromethylpyridin-2-amine, 2-Amino-3-fluoro-5-trifluoromethylpyridine, 3-fluoro-5-(trifluoromethyl)-2-pyridylamine, FT-0678655, TL80073989, Y4250, 3-Fluoro-5-(trifluoromethyl)pyridine-2-amine, 3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINAMINE

Molecular Formula: C6H4F4N2Molecular Weight: 180.102973 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: HAVVQRHBCUBQGG-UHFFFAOYSA-N

• 6-Fluorotryptamine
IUPAC Name: 2-(6-fluoro-1H-indol-3-yl)ethanamine | CAS Registry Number: 575-85-9
Synonyms: F7126_SIGMA, CHEBI:445768, 2-(6-fluoro-1H-indol-3-yl)ethanamine, CID854024, BBV-15790745, F-6600

Molecular Formula: C10H11FN2Molecular Weight: 178.206143 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BQTOKMYKZPCPRW-UHFFFAOYSA-N

• 3,6-Dihydro-2H-thiopyran-4-ylboronic acid pinacol ester
IUPAC Name: 2-(3,6-dihydro-2H-thiopyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | CAS Registry Number: 862129-81-5
Synonyms: 2-(3,6-Dihydro-2H-thiopyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, SureCN252498, CTK8B3077, ANW-41741, QC-3481, RL05326, AK134900, AM808071, KB-24337, B-4381, 3,6-Dihydro-2h-thiopyran-4-ylboronic acid pinacol ester,, 2H-Thiopyran, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 2H-Thiopyran,3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Molecular Formula: C11H19BO2SMolecular Weight: 226.143360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QZVRTORVCKGPPY-UHFFFAOYSA-N

• 3-Acetylumbelliferyl beta-D-glucopyranoside
IUPAC Name: 3-acetyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | CAS Registry Number: 20943-16-2
Synonyms: CHEBI:53111, Epitope ID:112871, A3582_SIGMA, CTK8F4931, AG-E-53760, 3-Acetylumbelliferyl b-D-glucopyranoside, 3-Acetylumbelliferyl |A-D-glucopyranoside, KB-29347, 3-Acetyl-7-coumarinyl-|A-D-glucopyranoside, 3-Acetyl-7-(|A-D-glucopyranosyloxy)coumarin, 3-Acetyl-7-coumarinyl-beta-D-glucopyranoside, 3-Acetyl-7-(beta-D-glucopyranosyloxy)coumarin, Coumarin,3-acetyl-7-(b-D-glucopyranosyloxy)-(8CI), 3-acetyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside

Molecular Formula: C17H18O9Molecular Weight: 366.319420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: KYVGMGQCZKBVDT-OWVAZHOYSA-N

• 3-Bromo-4-fluorocinnamic acid
IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoate | CAS Registry Number: 160434-49-1
Synonyms: ZINC00057073, CID6921674

Molecular Formula: C9H5BrFO2-Molecular Weight: 244.037203 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZNIGVADAKXOMQH-DUXPYHPUSA-M

• 2-(4-Fluorophenyl)-2-Propanol
IUPAC Name: 2-(4-fluorophenyl)propan-2-ol | CAS Registry Number: 402-41-5
Synonyms: 2-(4-fluorophenyl)propan-2-ol, ZINC02527972, CID637733, METHANOL,DIMETHYL,4-FLUOROPHENYL, BBV-27279796, benzenemethanol, 4-fluoro-alpha,alpha-dimethyl-, InChI=1/C9H11FO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H

Molecular Formula: C9H11FOMolecular Weight: 154.181443 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QURXIISLVHJNGB-UHFFFAOYSA-N

• [23,24,25,26,27-13C5]Cholesterol
IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 150044-24-9
Synonyms: Cholesterol-13C5, (3|A)-Cholest-5-en-3-ol-23,24,25,26,27-13C5

Molecular Formula: C27H46OMolecular Weight: 391.616814 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HVYWMOMLDIMFJA-QVICAUPWSA-N

• 2,5-Dichlorotoluene
IUPAC Name: 1,4-dichloro-2-methylbenzene | CAS Registry Number: 19398-61-9
Synonyms: 2,5-DICHLOROTOLUENE, Toluene, 2,5-dichloro-, Benzene, 1,4-dichloro-2-methyl-, D75955_ALDRICH, 45973_RIEDEL, NSC86117, Toluene, 2,5-dichloro- (8CI), CID29572, EINECS 243-032-2, NSC 86117, ST5406295

Molecular Formula: C7H6Cl2Molecular Weight: 161.028540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KFAKZJUYBOYVKA-UHFFFAOYSA-N

• 5-Methyl-pyrimidine
IUPAC Name: 5-methylpyrimidine | CAS Registry Number: 2036-41-1
Synonyms: 5-Methylpyrimidine, Pyrimidine, 5-methyl-, ZINC01852614, CID74859, EINECS 218-006-9, TL8007071

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TWGNOYAGHYUFFR-UHFFFAOYSA-N

• 1H-Pyrazolo[3,4-B]pyridine
IUPAC Name: 1H-pyrazolo[3,4-b]pyridine | CAS Registry Number: 271-73-8
Synonyms: 1H-pyrazolo[3,4-b]pyridine, 7-Azaindazole, 2H-PYRAZOLO[3,4-B]PYRIDINE, 7-Aza-1H-indazole, Pyrazolo[3,4-b]pyridine, 271-71-6, SBB026996, pyrazolo[5,4-b]pyridine, ZINC03852638, SureCN7678, SureCN7679, 7-AZABENZPYRAZOLE, AC1MBS8G, ACMC-1CS3B, AC1Q4XB3, SureCN1495275, 1H-pyrazolo[3,4-b]pyridin, KSC202G5F, BESTIPHARMA 562-155, CTK1A2352

Molecular Formula: C6H5N3Molecular Weight: 119.124000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GVLRTOYGRNLSDW-UHFFFAOYSA-N

• 7,12-Dihydroxycholest-4-en-3-one
IUPAC Name: (7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 1254-03-1
Synonyms: CHEBI:28477, LMST04030114, ZINC13543181, CID3081958, 4-cholesten-7alpha,12alpha-diol-3-one, 7alpha,12alpha-Dihydroxy-5-cholesten-3-one, 7alpha,12alpha-Dihydroxycholest-4-en-3-one, Cholest-4-en-3-one, 7,12-dihydroxy-, (7alpha,12alpha)-

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UQPYXHJTHPHOMM-NIBOIBLTSA-N

• 4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyanoside
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate | CAS Registry Number: 14581-81-8
Synonyms: 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside, SureCN4182294, CTK8B3521, MolPort-000-629-577, ANW-42667, ZINC26770431, AKOS015919161, AG-D-89866, AK136203, FT-0653264, M1630, W0214, 4-Methoxyphenyl-2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside, (2R,3R,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate, Glucopyranoside,p-methoxyphenyl, tetraacetate, b-D- (8CI);b-D-Glucopyranoside,4-methoxyphenyl, tetraacetate (9CI);4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyanoside;

Molecular Formula: C21H26O11Molecular Weight: 454.424540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: RPHXBVOPPUTUES-YMQHIKHWSA-N

• 4-Piperidinecarboxamide, 4-Amino-1-(phenylmethyl)-
IUPAC Name: 4-amino-1-benzylpiperidine-4-carboxamide | CAS Registry Number: 170921-49-0
Synonyms: n-benzyl-4-amino-piperidine-4-carboxamide, 4-Amino-1-benzylpiperidine-4-carboxamide, N-Benzyl-4-aminopiperidine-4-carboxamide, 4-amino-1-benzyl-piperidine-4-carboxylic acid amide, ACMC-209e1w, SureCN3955531, ACT09101, ANW-22482, AKOS010011653, AB06294, AK-63021, AM807606, KB-36211, 4-amino-1-benzylpiperidine-4-carboxylic acid amide, 4-Piperidinecarboxamide, 4-amino-1-(phenylmethyl)-

Molecular Formula: C13H19N3OMolecular Weight: 233.309460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YITYNCSQCPGDGO-UHFFFAOYSA-N

• 2,2,3,3,3-Pentafluoropropylamine
IUPAC Name: 2,2,3,3,3-pentafluoropropan-1-amine | CAS Registry Number: 422-03-7
Synonyms: EINECS 207-010-6, CID79002, BBV-14848864, 1-Propanamine, 2,2,3,3,3-pentafluoro-

Molecular Formula: C3H4F5NMolecular Weight: 149.062576 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DPQNQLKPUVWGHE-UHFFFAOYSA-N

• 2-(Trifluoromethyl)benzamide
IUPAC Name: 2-(trifluoromethyl)benzamide | CAS Registry Number: 360-64-5
Synonyms: o-Trifluoromethylbenzamide, o-(Trifluoromethyl)benzamide, 2-Trifluoromethylbenzamide, 594512_ALDRICH, CID67759, JRD-0665, EINECS 206-637-2, ZINC00156507, ST5406929, TL8002669

Molecular Formula: C8H6F3NOMolecular Weight: 189.134550 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QBAYIBZITZBSFO-UHFFFAOYSA-N

• 4-Bromo-3,5-dimethoxybenzoic Acid
IUPAC Name: 4-bromo-3,5-dimethoxybenzoate | CAS Registry Number: 56518-42-4
Synonyms: ZINC02382617, CID7009422

Molecular Formula: C9H8BrO4-Molecular Weight: 260.061420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JNFZULSIYYVRJO-UHFFFAOYSA-M

• 4-(2-Methyl-1H-Imidazol-1-Yl)aniline
IUPAC Name: 4-(2-methylimidazol-1-yl)aniline | CAS Registry Number: 74852-81-6
Synonyms: ZINC04244867, ALBB-005557, ZERO/006385, 4-(2-methyl-1H-imidazol-1-yl)aniline, STK350763, CID3157478, 4-(2-Methyl-imidazol-1-yl)-phenylamine, BAS 08767582

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

InChIKey: IEZCMVRWKNEHJB-UHFFFAOYSA-N

• 6-Phenylnicotinaldehyde
IUPAC Name: 6-phenylpyridine-3-carbaldehyde | CAS Registry Number: 63056-20-2
Synonyms: 6-phenylnicotinaldehyde, MolPort-000-142-648, ZINC03884527, CC21104, CID2764562

Molecular Formula: C12H9NOMolecular Weight: 183.205960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HWDMDOSKSDLXEH-UHFFFAOYSA-N

• 4-(Dimethylamino)-2',4'-Dinitrostilbene
IUPAC Name: 4-[2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline | CAS Registry Number: 57711-75-8
Synonyms: 4-(Dimethylamino)-2',4'-dinitrostilbene, AC1MC7EB, 4-[2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline, CTK2D6583, CTK6H9680, AG-A-68681, MCULE-7100061330, KB-97021, Benzenamine, 4-[(1E)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethyl-, 61599-67-5

Molecular Formula: C16H15N3O4Molecular Weight: 313.308000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FUQVXPNRYJFXSG-UHFFFAOYSA-N

• 2-(2-Pyridyl)ethyltrimethoxysilane
IUPAC Name: trimethoxy(2-pyridin-2-ylethyl)silane | CAS Registry Number: 27326-65-4
Synonyms: SureCN154143, AC1MC2U5, CTK4F9494, trimethoxy(2-pyridin-2-ylethyl)silane, AG-E-87089, Pyridine,2-[2-(trimethoxysilyl)ethyl]-, 2-(2-PYRIDYL)ETHYLTRIMETHOXYSILANE, FT-0638693, (2-Pyridylethyl)trimethoxysilane;2-(Trimethoxysilyl)ethyl-2-pyridine;SIT 8396.0;b-(Trimethoxysilyl)ethyl-2-pyridine;

Molecular Formula: C10H17NO3SiMolecular Weight: 227.332380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XVZMLSWFBPLMEA-UHFFFAOYSA-N

• 2,6-Dimethoxybenzonitrile
IUPAC Name: 2,6-dimethoxybenzonitrile | CAS Registry Number: 16932-49-3
Synonyms: 1,2-Dimethoxybenzene, Benzonitrile, 2,6-dimethoxy-, EINECS 241-000-2, NSC27017, BRN 2720059, ZINC00164596, LS-38692, ST5406658, TL80073945, 2-10-00-00260 (Beilstein Handbook Reference), InChI=1/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XHAHKSSLDJIEDH-UHFFFAOYSA-N

• 2,2-Bis(4-Carboxyphenyl)Hexafluoropropane
IUPAC Name: 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid | CAS Registry Number: 1171-47-7
Synonyms: 367672_ALDRICH, CID633763, 2,2-Bis[4-carboxyphenyl]hexafluoropropane, 2,2-Bis(4-carboxyphenyl)hexafluoropropane, LT00160097, 4,4'-(Hexafluoroisopropylidene)bis(benzoic acid), Benzoic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-, 936941-90-1

Molecular Formula: C17H10F6O4Molecular Weight: 392.249319 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: PHQYMDAUTAXXFZ-UHFFFAOYSA-N

• (R)-3-Hydroxymyristic acid
IUPAC Name: 3-hydroxytetradecanoic acid | CAS Registry Number: 28715-21-1
Synonyms: 3-Hydroxymyristic acid, 3-HYDROXYTETRADECANOIC ACID, 1961-72-4, Tetradecanoic acid, 3-hydroxy-, beta-Hydroxymyristic acid, beta-Hydroxytetradecanoic acid, DL-beta-Hydroxymyristic acid, R-(3)-HYDROXYMYRISTIC ACID, 3-HYDROXY-TETRADECANOIC ACID, BRN 1725372, ATRNZOYKSNPPBF-UHFFFAOYSA-N, MFCD00059633, 3422-31-9, beta-hydroxymyristicacid, ACMC-1CSHD, 3-hydroxy-tetradecanoicaci, .beta.-Hydroxymyristic acid, 3-03-00-00660 (Beilstein Handbook Reference), SCHEMBL142895, hydroxymyristic acid, 3-(sg)

Molecular Formula: C14H28O3Molecular Weight: 244.375 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ATRNZOYKSNPPBF-UHFFFAOYSA-N

• 2-Chloroethyl Vinyl Ether
IUPAC Name: 2-chloroethoxyethene | CAS Registry Number: 110-75-8
Synonyms: Ether, 2-chloroethyl vinyl, Ethene, (2-chloroethoxy)-, 2-Vinyloxyethyl chloride, (2-Chloroethoxy)ethene, Vinyl 2-chloroethyl ether, Ethene, 2-chloroethoxy-, 2-Chlorethyl vinyl ether, Ether, 2-chlorethyl vinyl, RCRA waste no. U042, RCRA waste number U042, beta-Chloroethyl vinyl ether, Vinyl beta-chloroethyl ether, 2-CHLOROETHYL VINYL ETHER, HSDB 1330, WLN: G2O1U1, .beta.-Chloroethyl vinyl ether, Vinyl .beta.-chloroethyl ether, 109983_ALDRICH, NSC 8261, EINECS 203-799-6

Molecular Formula: C4H7ClOMolecular Weight: 106.550780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DNJRKFKAFWSXSE-UHFFFAOYSA-N

• (2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid
IUPAC Name: (2S,3S)-3-phenylpyrrolidin-1-ium-2-carboxylate | CAS Registry Number: 118758-48-8
Synonyms: ZINC00759284, CID11860965

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VDEMEKSASUGYHM-UWVGGRQHSA-N

• 1,2:5,6-Di-O-Cyclohexylidene-Alpha-D-Glucofuranose
IUPAC Name: (3aR,5S,6S,6aR)-5-[(2R)-1,4-dioxaspiro[4.5]decan-2-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol | CAS Registry Number: 23397-76-4
Synonyms: ZINC04262149, ZINC05224541, CID7157082

Molecular Formula: C18H28O6Molecular Weight: 340.411320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: XEYVZLZWQFLSDZ-YIDVYQOGSA-N

• 3-(N-Acetyl-N-ethylamino)pyrrolidine
IUPAC Name: N-ethyl-N-pyrrolidin-3-ylacetamide | CAS Registry Number: 115445-29-9
Synonyms: AmbTiA80223, MolPort-000-150-833, N-ethyl-N-pyrrolidin-3-yl-acetamide, CID2756274, A1113, A80223

Molecular Formula: C8H16N2OMolecular Weight: 156.225440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NHMWGGURJSUYGU-UHFFFAOYSA-N

• 1,2-O-(1-Ethoxyethylidene)-beta-D-mannopyranose triacetate
IUPAC Name: [6-acetyloxy-5-(acetyloxymethyl)-2-ethoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-yl] acetate | CAS Registry Number: 28140-37-6
Synonyms: MolPort-003-850-611, NSC267968, CID430043

Molecular Formula: C16H24O10Molecular Weight: 376.355760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: ULBLUAFHNLHIND-UHFFFAOYSA-N

• 3-Bromopentane
IUPAC Name: 3-bromopentane | CAS Registry Number: 1809-10-5
Synonyms: 3-BROMOPENTANE, Pentane, 3-bromo-, 3-Pentyl bromide, 267848_ALDRICH, CID15738, EINECS 217-314-0, BBV-2065917, InChI=1/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H

Molecular Formula: C5H11BrMolecular Weight: 151.044840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VTOQFOCYBTVOJZ-UHFFFAOYSA-N

• 3-(Difluoromethoxy)Phenol
IUPAC Name: 3-(difluoromethoxy)phenol | CAS Registry Number: 88798-13-4
Synonyms: 3-(difluoromethoxy)phenol, ZINC02560136, 3-Difluoromethoxyphenol, AC1MCNYX, ACMC-20a5wf, SureCN872503, 3-(Difluoromethoxy)phenol;, Phenol,3-(difluoromethoxy)-, 3-[bis(fluoranyl)methoxy]phenol, CTK3J3853, MolPort-001-775-539, ANW-58573, PC4356, SBB087412, alpha,alpha-Difluoro-3-hydroxyanisole, AKOS009157427, AG-H-59624, AS00168, AK-80068, KB-70741

Molecular Formula: C7H6F2O2Molecular Weight: 160.118146 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NETVQEPAYWXLPM-UHFFFAOYSA-N

• 4-(t-Butoxycarbonyl)phenylboronic acid
IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]boronic acid | CAS Registry Number: 380430-70-6
Synonyms: 4-BOC-Hydroxyphenylboronic acid, 4-(tert-Butoxycarboxy)benzeneboronic acid, (4-((tert-Butoxycarbonyl)oxy)phenyl)boronic acid, PubChem1761, AC1MCMR8, MolPort-001-759-461, [4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]boronic Acid, 4-t-Butoxycarboxyphenylboronic acid,, ANW-56006, AKOS016001109, AB13526, OR10395, AK-44657, 4-TERT-BUTOXYCARBOXYPHENYLBORONIC ACID, 4-[(tert-butoxycarbonyl)oxy]phenylboronic acid, B-3347, 4-(TERT-BUTOXYCARBONYLOXY)PHENYLBORONIC ACID

Molecular Formula: C11H15BO5Molecular Weight: 238.044800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HZOYMUMPDHVQOH-UHFFFAOYSA-N

• 4-Chloro Catechol
IUPAC Name: 4-chlorobenzene-1,2-diol | CAS Registry Number: 2138-22-9
Synonyms: 4-Chlorocatechol, 4-Chloropyrocatechol, 4-chlorobenzene-1,2-diol, Pyrocatechol, 4-chloro-, 4-Chloro-1,2-benzenediol, 1,2-Benzenediol, 4-chloro-, 148520_ALDRICH, CHEBI:27772, EINECS 218-381-9, AIDS017780, AIDS-017780, CID16496, CPD-9152, BRN 1907691, c0296, 4-CHLORO-1,2-DIHYDROXYBENZENE, LS-136418, ST5410989, C02375, 4-06-00-05614 (Beilstein Handbook Reference)

Molecular Formula: C6H5ClO2Molecular Weight: 144.555700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WWOBYPKUYODHDG-UHFFFAOYSA-N

• 2-Methyl-4-Nitroindole
IUPAC Name: 2-methyl-4-nitro-1H-indole | CAS Registry Number: 3484-10-4
Synonyms: 2-Methyl-4-nitroindole, 2-methyl-4-nitro-1H-indole, SBB055984, 2-methyl-4-nitro indole, SureCN1002018, 1H-Indole,2-methyl-4-nitro-, CTK4H3108, MolPort-001-760-994, 4-NITRO-2-METHYL-1H-INDOLE, ANW-47563, ZINC15443670, AKOS006343026, AG-F-19570, MCULE-1402074309, PB17582, QC-2471, AK-29203, BR-29203, KB-25383, ST4150592

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HCISKOUSZIJNET-UHFFFAOYSA-N

• 2-Methoxybenzotrifluoride
IUPAC Name: 1-methoxy-2-(trifluoromethyl)benzene | CAS Registry Number: 395-48-2
Synonyms: 2-(Trifluoromethyl)anisole, 1-methoxy-2-(trifluoromethyl)benzene, 2-methoxybenzotrifluoride, 16222-42-7, (trifluoromethyl)anisole, ST50827445, ZINC02512369, PubChem3564, 2-trifluoromethylanisole, AC1MCQ3D, ACMC-209do0, SureCN255270, CTK4D1148, MolPort-001-777-826, 1-methoxy-2-trifluoromethyl-benzene, ANW-21982, SBB089126, 2-methoxy-1-(trifluoromethyl)benzene, AKOS005257892, 1-Methoxy-2-(trifluoromethyl)benzene,

Molecular Formula: C8H7F3OMolecular Weight: 176.135790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BHPJMWUXVOTGQU-UHFFFAOYSA-N

• 2,2,5-Trimethyl-1,3-dioxane-5-carboxylic acid
IUPAC Name: 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid | CAS Registry Number: 16837-14-2
Synonyms: 2,2,5-trimethyl-1,3-dioxane-5-carboxylic Acid, SureCN42141, AGN-PC-007G5Z, CTK0H2087, AKOS006286024, AG-E-17718, MCULE-6204886022, FT-0675619, 2,2,5-Trimethyl-m-dioxane-5-carboxylic Acid, 1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-, 1,3-Dioxane-5-carboxylic acid, 2,2,5-trimethyl-, m-Dioxane-5-carboxylicacid, 2,2,5-trimethyl- (8CI);

Molecular Formula: C8H14O4Molecular Weight: 174.194360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WZEWDEAIHCUMKY-UHFFFAOYSA-N

• 3-[(tert-Butoxycarbonyl)amino]isonicotinic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid | CAS Registry Number: 179024-65-8
Synonyms: 3-Boc-amino-isonicotinic acid, 3-[(tert-butoxycarbonyl)amino]isonicotinic acid, 3-((tert-Butoxycarbonyl)amino)isonicotinic acid, SureCN535637, CTK0H3932, MolPort-000-140-157, ANW-73989, SBB098931, tertbutoxycarbonylaminoisonicotinicacid, AKOS005073624, AG-E-29388, NC-0713, PB23349, RP13665, AK-90082, KB-33301, FT-0681242, C-1492, A812419, 3-TERT-BUTOXYCARBONYLAMINO-ISONICOTINIC ACID

Molecular Formula: C11H14N2O4Molecular Weight: 238.239860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZZXUPXUHQHTUNH-UHFFFAOYSA-N

• 1-N-Boc-4-N-fmoc-amino-4-carboxylicpiperidine
IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate | CAS Registry Number: 183673-66-7
Synonyms: ZINC04241120, CID7145492

Molecular Formula: C26H29N2O6-Molecular Weight: 465.518260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: BOFOACPQHWDRLH-UHFFFAOYSA-M

• 3-(Trifluoromethyl)-Dl-Phenylalanine
IUPAC Name: 2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid | CAS Registry Number: 63701-37-1
Synonyms: 2-amino-3-[3-(trifluoromethyl)phenyl]propanoic Acid, 3-trifluoromethyl-dl-phenylalanine, 3-(Trifluoromethyl)-dl-phenylalanine, 2-amino-3-(3-(trifluoromethyl)phenyl)propanoic acid, 2-amino-3-(3-trifluoromethyl-phenyl)-propionic acid, 2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, ACMC-20anhu, AC1MCRU6, SureCN44155, dl-3-trifluoromethylphenylalanine, CTK5B9699, MolPort-000-159-081, MolPort-003-990-766, Phenylalanine,3-(trifluoromethyl)-, ANW-63256, AKOS000189408, AB02797, AG-G-36929, AM83491, MCULE-5222181617

Molecular Formula: C10H10F3NO2Molecular Weight: 233.187110 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BURBNIPKSRJAIQ-UHFFFAOYSA-N

• 3,5-Dibromoaniline
IUPAC Name: 3,5-dibromoaniline | CAS Registry Number: 626-40-4
Synonyms: NSC6216, MolPort-001-758-903, CID221512, ZINC00399978, OR11698, TL8004221

Molecular Formula: C6H5Br2NMolecular Weight: 250.918600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RVNUUWJGSOHMRR-UHFFFAOYSA-N

• 4-Chloro-3-Nitro Benzophenone
IUPAC Name: (4-chloro-3-nitrophenyl)-phenylmethanone | CAS Registry Number: 56107-02-9
Synonyms: 4-Chloro-3-nitrobenzophenone, Ambap210, EINECS 259-995-7, BENZOPHENONE, 4-CHLORO-3-NITRO-, BRN 2587417, Methanone, (4-chloro-3-nitrophenyl)phenyl-, NSC102519, ZINC00058234, LS-38889, ST5308011, 4-07-00-01383 (Beilstein Handbook Reference)

Molecular Formula: C13H8ClNO3Molecular Weight: 261.660520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YBDBYPQFIMSFJW-UHFFFAOYSA-N

• 1,1,7,7-Tetramethyl-2,3,6,7-Tetrahydro-1h,5h-Pyrido[3,2,1-Ij]quinoline-9-Carbaldehyde
Synonyms: 1,1,7,7-tetramethyl-9-formyljulolidine, 1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline-9-carbaldehyde, 1,1,7,7-Tetramethyljulolidine-9-carboxaldehyde, AG-E-58925, 1,1,7,7-tetramethyljulolidine-9-carbaldehyde, PubChem15087, Jsp004411, CTK4E7512, MolPort-002-499-965, ACT04871, ANW-47912, RW2227, ZINC12647627, AKOS015842167, RP29183, AK-44906, BR-44906, KB-09806, FT-0630167, W4500

Molecular Formula: C17H23NOMolecular Weight: 257.370620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FDVCQFAKOKLXGE-UHFFFAOYSA-N


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