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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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• 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

• (R)-2-Hydroxy-4-phenylbutyric acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 267013-77-4
Synonyms: 29678-81-7, (R)-(-)-2-Hydroxy-4-phenylbutyric acid, (2R)-2-hydroxy-4-phenylbutanoic acid, (R)-2-Hydroxy-4-phenylbutanoicAcid, (R)-2-hydroxy-4-phenylbutanoic acid, PubChem5687, SureCN233440, AC1MC05S, 420085_ALDRICH, AC1Q59Q5, Jsp005621, CTK4F8369, MolPort-001-794-060, ANW-26676, (r)-2-hydroxy-4-phenyl-butyric acid, AKOS015855449, AC-6643, R-(-)-2-Hydroxy-4-phenylbutyric acid, AK-34569, BR-34569

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

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-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

• (S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(2-fluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 246876-92-6
Synonyms: (S)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC59D, (S)-3-Amino-4-(2-fluorophenyl)butyric acid hydrochloride, Ho^DPEmpbHdLBTTRQfTxXBBjXb\@, CTK8E9394, MolPort-003-794-035, SBB064585, AKOS015890231, AK114800, KB-211423, 2-Fluoro-L-beta-homophenylalanine hydrochloride, I01-5181, (3S)-3-amino-4-(2-fluorophenyl)butanoic acid hydrochloride

Molecular Formula: C10H13ClFNO2Molecular Weight: 233.667123 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: JZQZLHARRLTFJX-QRPNPIFTSA-N

• 1-(4-Bromophenyl)-2-pyrrolidinone
IUPAC Name: 1-(4-bromophenyl)pyrrolidin-2-one | CAS Registry Number: 7661-32-7
Synonyms: MLS000539454, ZINC00155729, 1-(4-bromophenyl)-2-pyrrolidinone, CID736110, SMR000125112, ST5307233

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

InChIKey: YINFEFUSAQRZGG-UHFFFAOYSA-N

• 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC Name: 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-96-9
Synonyms: 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, 3-Bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-Bromo-2,3,4,5-tetrahydro-2-OXO-1H-1-benzazepine, 3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one, 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-bromo-1,3,4,5-tetrahydro-2h-1-benzazepine-2-one, a-bromobenzocaprolactam, PubChem22344, AC1MBVA4, ACMC-209q9z, alpha-bromobenzo-caprolactam, SureCN2214341, KSC876E0F, CTK7H6202, MolPort-000-002-055, BB_SC-3269, ANW-38325, BBL010024

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

InChIKey: JMXPGCGROVEPID-UHFFFAOYSA-N

• 2,6-Dibromoaniline
IUPAC Name: 2,6-dibromoaniline | CAS Registry Number: 608-30-0
Synonyms: Aniline, 2,6-dibromo-, 2,6-dibromophenylamine, Benzenamine, 2,6-dibromo-, NSC305, D38804_ALDRICH, 33925_FLUKA, CID69098, EINECS 210-158-4, ZINC00388497, LT03333478, AE-641/00174064, InChI=1/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H

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

InChIKey: XIRRDAWDNHRRLB-UHFFFAOYSA-N

• 4-Chloro-alpha,alpha-dimethylphenylacetic acid
IUPAC Name: 2-(4-chlorophenyl)-2-methylpropanoic acid | CAS Registry Number: 6258-30-6
Synonyms: EINECS 228-392-0, SBB003559, 2-(p-Chlorophenyl)-2-methylpropionic acid, 2-(4-Chlorophenyl)-2-methylpropionic acid, 4-Chloro-.alpha.,.alpha.-dimethylphenylacetic acid

Molecular Formula: C10H11ClO2Molecular Weight: 198.646140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SSFDAZXGUKDEAH-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

• 2,6-Dichloropurine riboside
IUPAC Name: (2R,3S,5R)-2-(2,6-dichloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 13276-52-3
Synonyms: 2,6-Dichloropurine-9-|A-D-riboside, 2,6-Dichloro-9-|A-D-ribofuranosyl-9H-purine

Molecular Formula: C10H10Cl2N4O4Molecular Weight: 321.116800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: HJXWZGVMHDPCRS-DTUHVUQASA-N

• 3-Anthraniloyl-DL-Alanine
IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid | CAS Registry Number: 343-65-7
Synonyms: L-kynurenine, Kynurenine, L-, kynurenine, nchembio.125-comp7, 3-Anthraniloyl-L-alanine, bmse000172, beta-Anthraniloyl-L-alanine, CCRIS 4425, K8625_SIGMA, 3-(2-aminobenzoyl)-L-alanine, CHEBI:16946, CID161166, NCGC00163345-01, LS-29336, C00328, K-9020, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 2922-83-0, KYN

Molecular Formula: C10H12N2O3Molecular Weight: 208.213880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-N

• 3-(carboxymethylaminomethyl)-4-Hydroxybenzoic Acid
IUPAC Name: 3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid | CAS Registry Number: 55739-39-4
Synonyms: 3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid, ST51038241, ACMC-20anj4, AC1NLTL7, SureCN712097, AC1Q762B, AG-F-95218, BP-13256, KB-178465, FT-0640336, 3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid, 3-{[(carboxymethyl)amino]methyl}-4-hydroxybenzoic acid, N-(5-CARBOXY-2-HYDROXY-BENZYL)-AMINOACETIC ACID;3-(CARBOXYMETHYLAMINOMETHYL)-4-HYDROXYBENZOIC ACID;2-HYDROXY-5-CARBOXY-BENZYLAMINO ACETIC ACID;3-(carboxymethylaminomethyl)-4-hydroxybenzoic aci;3-(CARBOXYMETHYLAMINOMETHYL)-4-HYDROXYBE NZOIC ACID, TECH., 85%;N-(5-CARBOXY-2-HYDROXYBENZYL)GLYCIN HYDRATE

Molecular Formula: C10H11NO5Molecular Weight: 225.198040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: ZASGCNOMAYYQIX-UHFFFAOYSA-N

• 2',4'-Dimethoxyacetophenone
IUPAC Name: 1-(2,4-dimethoxyphenyl)ethanone | CAS Registry Number: 829-20-9
Synonyms: 2,4-Dimethoxyacetophenone, Resacetophenone dimethyl ether, D129402_ALDRICH, NSC46645, Acetophenone, 2',4'-dimethoxy-, Ethanone, 1-(2,4-dimethoxyphenyl)-, CID70016, EINECS 212-587-2, ZINC01678791, 1-(2,4-Dimethoxyphenyl)ethan-1-one, SDCCGMLS-0066943.P001, AI3-10505, ST5214359

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

InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

• 6,7-Dimethoxy-4(1H)-quinazolinone
IUPAC Name: 6,7-dimethoxy-1H-quinazolin-4-one | CAS Registry Number: 13794-72-4
Synonyms: Maybridge3_001466, Oprea1_495367, ZINC00116236, SDCCGMLS-0065808.P001, IDI1_012853, TL8000871, 6,7-Dimethoxy-3,4-dihydroquinazoline-4-one, 10N-834

Molecular Formula: C10H10N2O3Molecular Weight: 206.198000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DMSRMHGCZUXCMJ-UHFFFAOYSA-N

• (S)-(+)-2-Phenylbutyric Acid
IUPAC Name: (2S)-2-phenylbutanoic acid | CAS Registry Number: 4286-15-1
Synonyms: (S)-(+)-2-Phenylbutyric acid, (2s)-2-phenylbutanoic acid, (S)-2-Phenylbutanoic acid, PubChem9874, AC1LFXAE, AC1Q5QZQ, SureCN67237, AC1Q2C6Z, 279889_ALDRICH, AC1Q2C70, CTK4I6709, (S)-()-2-phenyl-Mutyric Acid, KST-1A8854, (S)-(+)-2-phenyl-Mutyric Acid, AR-1A3279, Benzeneacetic acid, a-ethyl-, (aS)-, AG-A-07800, KB-211229

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

InChIKey: OFJWFSNDPCAWDK-VIFPVBQESA-N

• 5-Methylbenzo[B]Thiophene-2-Methanol
IUPAC Name: (5-methyl-1-benzothiophen-2-yl)methanol | CAS Registry Number: 22962-49-8
Synonyms: (5-methyl-1-benzothiophen-2-yl)methanol, 5-Methylbenzo[b]thiophene-2-methanol, ZINC02563904, AC1MDRXI, SureCN122572, CTK4F0573, MolPort-000-145-235, SBB089454, AKOS006283726, AG-E-66441, MO07149, Benzo[b]thiophene-2-methanol,5-methyl-, AM803558, KB-43627, (5-Methyl-benzo[b]thiophen-2-yl)-methanol, (5-Methyl-benzo[b]thiophen-2-yl)-methanol;, (5-methylbenzo[b]thiophen-2-yl)methan-1-ol, A816448

Molecular Formula: C10H10OSMolecular Weight: 178.250800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NPSSZIBANMLQHP-UHFFFAOYSA-N

• 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

• (S)-3-Amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride
IUPAC Name: (3S)-3-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270063-50-8
Synonyms: (S)-3-AMINO-4-(3,4-DICHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC5EP, (S)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid-HCl, CTK8E9385, MolPort-003-794-125, (3S)-3-amino-4-(3,4-dichlorophenyl)butanoic Acid Hydrochloride, AKOS015948737, AK114859, KB-211425, TL8002165, 3,4-Dichloro-L-beta-homophenylalanine hydrochloride, (S)-3-Amino-4-(3,4-dichloro-phenyl)butyric acid hydrochloride

Molecular Formula: C10H12Cl3NO2Molecular Weight: 284.566780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: RNDGKTAEVJUWKK-FJXQXJEOSA-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

• 2,4,6-Trimethylbenzoyl chloride
IUPAC Name: 2,4,6-trimethylbenzoyl chloride | CAS Registry Number: 938-18-1
Synonyms: Mesitoyl chloride, Benzoyl chloride, 2,4,6-trimethyl-, 682519_ALDRICH, CID97038, NSC97606, EINECS 213-339-6, NSC 97606, ZINC01632804, InChI=1/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H

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

InChIKey: UKRQMDIFLKHCRO-UHFFFAOYSA-N

• 2,6-Dimethyl Phenoxy Acetic Acid
IUPAC Name: 2-(2,6-dimethylphenoxy)acetic acid | CAS Registry Number: 13335-71-2
Synonyms: 2,6-Dimethylphenoxy acetate, (2,6-Dimethylphenoxy)acetic acid, ARONIS004991, Acetic acid, (2,6-xylyloxy)-, CID101369, NSC408599, SBB015396, Acetic acid, (2,6-dimethylphenoxy)-, NSC 408599, (2,6-DIMETHYL-PHENOXY)-ACETIC ACID, Acetic acid, (2,6-xylyloxy)- (8CI), BAS 16434996, Acetic acid, (2,6-dimethylphenoxy)- (9CI), DBA

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

InChIKey: MLBCURLNKYKBEQ-UHFFFAOYSA-N

• 2-(5-bromo-1h-indol-3-yl)ethanamine Hydrochloride
IUPAC Name: 2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride | CAS Registry Number: 81868-12-4
Synonyms: 5-Bromotryptamine hydrochloride, 5-Bromotryptamine HCl, AGN-PC-00LNBW, SureCN687689, CTK8E5209, MolPort-003-889-429, AKOS015843645, AG-H-28305, CL18091, AK112228, AM807786, KB-73394, FT-0620179, B-9000, 1H-Indole-3-ethanamine, 5-bromo-, hydrochloride, 2-(5-Bromo-1H-indol-3-yl)ethanamine hydrochloride, I05-2821, 2-(5-Bromo-1H-indol-3-yl)-ethylamine hydrochloride, 3-(2-AMINOETHYL)-5-BROMOINDOLE HYDROCHLORIDE

Molecular Formula: C10H12BrClN2Molecular Weight: 275.572680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: QUPXCOYSKSUJPX-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

• (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
IUPAC Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 74163-81-8
Synonyms: 421626_ALDRICH, 87437_FLUKA, AL081-1, ST5330564, L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

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

InChIKey: BWKMGYQJPOAASG-VIFPVBQESA-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

• 4-Chloro-1-(4-hydroxyphenyl)-1-butanone
IUPAC Name: 4-chloro-1-(4-hydroxyphenyl)butan-1-one | CAS Registry Number: 7150-55-2
Synonyms: 4-Chloro-4'-hydroxybutyrophenone, NSC71882, EINECS 230-485-6, ZINC01697305, Butyrophenone, 4-chloro-4'-hydroxy-, ST5412062, 1-Butanone, 4-chloro-1-(4-hydroxyphenyl)-

Molecular Formula: C10H11ClO2Molecular Weight: 198.646140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HZCPODPQEZHXHM-UHFFFAOYSA-N

• 2-Benzimidazolepropionic acid
IUPAC Name: 3-(1H-benzimidazol-2-yl)propanoic acid | CAS Registry Number: 23249-97-0
Synonyms: Procodazole, Procodazol, Propazol, Propazole, Procodazole [INN], Procodazol [INN-Spanish], Procodazolum [INN-Latin], 1H-Benzimidazole-2-propanoic acid, NSC35790, NCIStruc1_000049, NCIStruc2_000216, Oprea1_461552, Oprea1_527552, 2-(2-Carboxyethyl)benzimidazole, 361933_ALDRICH, IFLab1_003962, TOS-BB-1299, ZERO/005185, beta-(2-Benzimidazole)propionic acid, NSC 35790

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XYWJNTOURDMTPI-UHFFFAOYSA-N

• (R)-(+)-2-Benzyloxypropionic Acid
IUPAC Name: (2R)-2-phenylmethoxypropanoic acid | CAS Registry Number: 100836-85-9
Synonyms: O-Benzyl-D-lactic acid, (R)-(+)-2-(Benzyloxy)propionic acid, ST50408198, AC1OCSWM, SureCN138280, 00696_FLUKA, 58573_FLUKA, CTK3J6017, (2R)-2-phenylmethoxypropanoic acid, (2R)-2-(phenylmethoxy)propanoic acid, AKOS015894045, AG-D-06579, KB-80109, Propanoic acid,2-(phenylmethoxy)-,(2R)-, FT-0605091, I04-8477, Propanoicacid, 2-(phenylmethoxy)-, (R)-; (R)-(+)-O-Benzyllactic acid;R-2-Benzyloxypropionic acid

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

InChIKey: XWAVPOFYNPXXEL-MRVPVSSYSA-N

• 3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-propanoic Acid
IUPAC Name: 3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid | CAS Registry Number: 339530-91-5
Synonyms: 3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid, 3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanoic acid, 3-(4-Fluorophenylthio)-2-hydroxy-2-methylpropanoic acid, methylpropanoic acid, AGN-PC-00GRML, SureCN3811027, CTK4H1516, MolPort-005-938-060, ANW-58158, SBB063507, AKOS013796562, AG-F-15033, AC-19097, AK-87205, R789, 3-[(4-Fluorophenyl)thio]-2-hydroxy-2-, KB-178139, KB-180074, FT-0653403, M6303

Molecular Formula: C10H11FO3SMolecular Weight: 230.255943 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: CTYJERNWLVBMTF-UHFFFAOYSA-N

• (S)-Benzyloxymethyl-oxirane
IUPAC Name: (2S)-2-(phenylmethoxymethyl)oxirane | CAS Registry Number: 16495-13-9
Synonyms: (S)-O-Benzylglycidol, (S)-Benzyl glycidyl ether, (+)-Benzyl glycidyl ether, (S)-(Benzyloxymethyl)oxirane, (+)-(Benzyloxymethyl)oxirane, CCRIS 6386, 363537_ALDRICH, ()-Benzyl (S)-glycidyl ether, (R)-1-(Benzyloxy)-2,3-epoxypropane, (S)-()-2-(Benzyloxymethyl)oxirane, ZINC02170166, NCGC00166091-01, Propane, 1-(benzyloxy)-2,3-epoxy-, (R)-, Oxirane, ((phenylmethoxy)methyl)-, (S)-, LS-119620, Propane, 1-(benzyloxy)-2,3-epoxy-, (S)-, Oxirane, ((phenylmethoxy)methyl)-, (S)- (9CI), Propane, 1-(benzyloxy)-2,3-epoxy-, (S)- (8CI)

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

InChIKey: QNYBOILAKBSWFG-SNVBAGLBSA-N

• 3-Methyl-5-Phenyl-1h-Pyrazole
IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole | CAS Registry Number: 3347-62-4
Synonyms: Phemerazole, Femerazol, 3-Methyl-5-phenylpyrazole, 5-Methyl-3-phenylpyrazole, Enamine_001202, 5-methyl-3-phenyl-1H-pyrazole, 1H-Pyrazole, 3-methyl-5-phenyl-, WLN: T5MNJ C1 ER, 3-Methyl-5-phenyl-1H-pyrazole, MLS001004744, PYRAZOLE, 3-METHYL-5-PHENYL-, 1H-Pyrazole,3-methyl-5-phenyl-, NSC78454, EINECS 222-099-1, NSC 78454, 1H-pyrazole, 5-methyl-3-phenyl-, CID18774, BRN 0004208, STK029816, ZINC03832560

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

InChIKey: QHRSESMSOJZMCO-UHFFFAOYSA-N

• 4'-Dimethylaminophenyl acetylene
IUPAC Name: 4-ethynyl-N,N-dimethylaniline | CAS Registry Number: 17573-94-3
Synonyms: 4-ethynyl-N,N-dimethylbenzenamine, 4-Ethynyl-N,N-dimethylaniline, 1-Ethynyl-4-dimethylaniline, 4-Dimethylaminophenylacetylene, 752235-18-0, AC1NQ88Y, 592609_ALDRICH, CTK5J0608, MolPort-002-499-413, ANW-54657, SBB064833, ZINC02534480, AKOS010651568, AC-6444, AG-C-23409, AG-E-26157, AK-43705, AK101751, KB-38480, KB-72429

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

InChIKey: ZWMAYLMVFSCMMS-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

• 2'-Deoxyadenosine 5'- Monophosphate, Disodium Salt
IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 2922-74-9
Synonyms: dAMP, Deoxyadenylic acid, Deoxy-AMP, Poly dAP, 2'-Deoxyadenylic acid, Oligo(dA), Poly(dA), 2'-Deoxy-AMP, d-AMP, 2'-dAMP, (dA)n, Deoxy-5'-adenylic acid, Deoxyadenosine monophosphate, Poly(deoxyadenylic acid), Polydeoxyriboadenylic acid, Deoxyadenosine 5'-phosphate, deoxyadenosine-phosphate, Deoxyadenylic acid polymer, 2'-Deoxyadenosine 5'-phosphate, PdA (VAN)

Molecular Formula: C10H14N5O6PMolecular Weight: 331.221821 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: KHWCHTKSEGGWEX-RRKCRQDMSA-N

• [3-(2-Methylthiazol-4-Yl)phenyl]amine
IUPAC Name: 3-(2-methyl-1,3-thiazol-4-yl)aniline | CAS Registry Number: 89250-34-0
Synonyms: MLS000102882, Oprea1_237956, 642630_ALDRICH, IFLab1_003704, 2-Methyl-4-(3-aminophenyl)thiazole, 4-(3-Aminophenyl)-2-methylthiazole, CID736535, ZINC00158916, SDCCGMLS-0012324.P002, IDI1_009811, 3-(2-Methyl-thiazol-4-yl)-phenylamine, BAS 01377408, SMR000015712, EN300-11808

Molecular Formula: C10H10N2SMolecular Weight: 190.264800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CPHZPWZSSBCSAH-UHFFFAOYSA-N

• 2-Bromo-4,5-dimethoxyphenylacetic acid
IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 4697-62-5
Synonyms: Oprea1_173201, MLS000111526, NSC143407, CID138324, SMR000107448, ST5408952

Molecular Formula: C10H11BrO4Molecular Weight: 275.095940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MDOLAGJKKZEHHW-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

• 2,5-Dimethyl-4-anisaldehyde
IUPAC Name: 4-methoxy-2,5-dimethylbenzaldehyde | CAS Registry Number: 6745-75-1
Synonyms: 2,5-Dimethyl-p-anisaldehyde, 2,5-Dimethyl-para-anisaldehyde, 2,5-Dimethyl-4-methoxybenzaldehyde, 152056_ALDRICH, EINECS 229-807-8, ZINC00586270, ST5308487, InChI=1/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H

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

InChIKey: KYHULTSMPDXSLR-UHFFFAOYSA-N

• 3-(2-Chloro-Phenyl)-Pyrrolidine
IUPAC Name: 3-(2-chlorophenyl)pyrrolidine | CAS Registry Number: 885277-67-8
Synonyms: 3-(2-chlorophenyl)pyrrolidine, 3-(2-Chloro-phenyl)-pyrrolidine, AG-H-57437, AC1MY9IN, ACMC-1CMY0, Ambcb4006410, SureCN3651436, CTK3E6863, MolPort-002-053-755, ANW-39052, WTI-11485, AKOS009157507, AB25453, RP24282, 4-(2-CHLOROPHENYL)-PYRROLIDINE, AK-36720, KB-26541, PYRROLIDINE, 3-(2-CHLOROPHENYL)-, AM20041311, BB 0252260

Molecular Formula: C10H12ClNMolecular Weight: 181.661980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RCQFNQQYVSNBOJ-UHFFFAOYSA-N

• 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One
IUPAC Name: 1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 4424-80-0
Synonyms: NCIOpen2_000317, MLS000660452, NSC65882, ZINC04101101, 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, SMR000309971, Benzo[b]azepin-2-one, 1,3,4,5-tetrahydro-, AR-438/40240582, A3763/0159577

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

InChIKey: HRVRAYIYXRVAPR-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

• 2-(4-Nitrophenyl)butyric acid
IUPAC Name: 2-(4-nitrophenyl)butanoic acid | CAS Registry Number: 7463-53-8
Synonyms: 2-(p-Nitrophenyl)butyric acid, EINECS 231-256-3, alpha-Ethyl-4-nitrobenzeneacetic acid, NSC 68215, NSC 404387, NSC23310, NSC68215, NSC404387, BUTYRIC ACID, 2-(p-NITROPHENYL)-, Benzeneacetic acid, alpha-ethyl-4-nitro-, LS-48129, ST5446656, Benzeneacetic acid, alpha-ethyl-4-nitro- (9CI), 46406-87-5

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XBGNOMBPRQVJSR-UHFFFAOYSA-N

• (S)-(+)-Phenylsuccinic Acid
IUPAC Name: 2-phenylbutanedioic acid | CAS Registry Number: 4036-30-0
Synonyms: Phenylsuccinic acid, Phenylsuccinate, 2-Phenylsuccinate, 2-Phenylsuccinic acid, Succinic acid, phenyl-, Butanedioic acid, phenyl-, Phenyl-succinic acid, dl-Phenylsuccinic acid, 2-Phenyl-succinic acid, (S)-Phenylsuccinic acid, alpha-Phenylsuccinic acid, .alpha.-Phenylsuccinic acid, (+/-)-Phenylsuccinic acid, Butanedioic acid, 2-phenyl-, P35200_ALDRICH, Succinic acid, phenyl- (8CI), 78170_FLUKA, AKE-BBR-007409, (+)-PHENYL SUCCINIC ACID, CHEBI:225246

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LVFFZQQWIZURIO-UHFFFAOYSA-N

• 2-Methylhippuric Acid
IUPAC Name: 2-[(2-methylbenzoyl)amino]acetic acid | CAS Registry Number: 42013-20-7
Synonyms: o-Toluric acid, 2-Methylhippuric acid, o-Methylhippuric acid, N-(o-Toluoyl)glycine, N-(2-Methylbenzoyl)glycine, N-(o-Toluoyl)-glycine, Oprea1_321487, Glycine, N-(2-methylbenzoyl)-, MLS001002411, 328006_ALDRICH, CID91637, EINECS 255-622-7, NSC163983, BBV-156774, NSC 163983, Glycine, N-(2-methylbenzoyl)- (9CI), SMR000368956, M-3778, InChI=1/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YOEBAVRJHRCKRE-UHFFFAOYSA-N

• 3,5-Dimethyl Phenyl Acetonitrile
IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile | CAS Registry Number: 39101-54-7
Synonyms: (3,5-Dimethylphenyl)acetonitrile, 3,5-Dimethylphenylacetonitrile, Benzeneacetonitrile, 3,5-dimethyl-, ZINC02528063, EINECS 254-292-1, CID123481, A4103/0174930

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

InChIKey: LMUKNQSVBFEUKR-UHFFFAOYSA-N

• 1-Phenyl-3-Methyl-5-Aminopyrazole (PMAP)
IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine | CAS Registry Number: 1131-18-6
Synonyms: Maybridge1_002345, 1-Phenyl-3-methyl-5-aminopyrazole, 5-Amino-3-methyl-1-phenylpyrazole, MLS000104498, DivK1c_001097, 541001_ALDRICH, 3-Methyl-1-phenylpyrazol-5-ylamine, EINECS 214-463-3, 1H-Pyrazol-5-amine, 3-methyl-1-phenyl-, CID70801, BRN 0140666, CDS1_000057, Pyrazole, 5-amino-3-methyl-1-phenyl-, SBB003817, SDCCGMLS-0046251.P002, 1H-Pyrazole-5-amine, 3-methyl-1-phenyl-, SMR000054433, LS-127995, 5-25-09-00466 (Beilstein Handbook Reference)

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FMKMKBLHMONXJM-UHFFFAOYSA-N

• 2,4-Dichlorophenoxybutyric Acid
IUPAC Name: 4-(2,4-dichlorophenoxy)butanoic acid | CAS Registry Number: 94-82-6
Synonyms: Butoxone, Butyrac, Butormone, Buratal, Butirex, Butoxon, Legumex D, Butoxone amine, Butoxone ester, Butyrac ester, Embutox, Legumex, Butyrac 118, Butyrac 200, Embutox klean-up, Sys 67 Buratal, 2,4-D butyric acid, Caswell No. 316, 2,4-D Butyric, Spectrum_001855

Molecular Formula: C10H10Cl2O3Molecular Weight: 249.090600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YIVXMZJTEQBPQO-UHFFFAOYSA-N

• 2-Propylphenyl isocyanate
IUPAC Name: 1-isocyanato-2-propylbenzene | CAS Registry Number: 190774-57-3
Synonyms: 487449_ALDRICH, ZINC02568111, CID2733390

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

InChIKey: NSGTVMQTRFUUSL-UHFFFAOYSA-N

• 3-Methoxy-4-Methylphenylacetonitrile
IUPAC Name: 2-(3-methoxy-4-methylphenyl)acetonitrile | CAS Registry Number: 64829-31-8
Synonyms: NSC148961, CID288219, ZINC01734342, BBV-27025844

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

InChIKey: KRGXHARSWLJCGO-UHFFFAOYSA-N

• 2,3-Dimethylphenoxyacetic acid
IUPAC Name: 2-(2,3-dimethylphenoxy)acetic acid | CAS Registry Number: 2935-63-9
Synonyms: Enamine_005510, 2,3-Xylyloxyacetic acid, ARONIS006808, NSC62095, (2,3-dimethylphenoxy)acetic acid, ALBB-000804, CID76239, EINECS 220-911-9, SBB016276

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

InChIKey: AVDBMBYECMTQJQ-UHFFFAOYSA-N


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