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• 3,5-dimethoxy-4-hydroxybenzylamine
IUPAC Name: 4-(aminomethyl)-2,6-dimethoxyphenol | CAS Registry Number: 4973-51-7
Synonyms: 4-(aminomethyl)-2,6-dimethoxyphenol, AGN-PC-00NYD8, SureCN1999631, AC1Q48G1, CTK6J7948, MolPort-005-992-190, AKOS005360084, AG-B-99474, MCULE-5099652933, Phenol, 4-(aminomethyl)-2,6-dimethoxy-, 3,5-DIMETHOXY-4-HYDROXYBENZYLAMINE, EN300-56896

Molecular Formula: C9H13NO3Molecular Weight: 183.204420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CGJYLAHPPGNUGT-UHFFFAOYSA-N

• 2H-1,4-Benzoxazin-3(4H)-one
IUPAC Name: 4H-1,4-benzoxazin-3-one | CAS Registry Number: 5466-88-6
Synonyms: benzoxazin-3-one, 2H-1,4-Benzoxazin-3-one, 4H-1,4-benzoxazin-3-one, 383503_ALDRICH, CPD-6405, NSC26354, NSC 26354, ZINC03883584, 2H-1,4-Benzoxazin-3(4H)-one (8CI)(9CI), AE-473/30224032, A0794/0037211, InChI=1/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QRCGFTXRXYMJOS-UHFFFAOYSA-N

• 3-HYDROXY-4-METHOXYBENZYLAMINE HCL
IUPAC Name: 5-(aminomethyl)-2-methoxyphenol;hydrochloride | CAS Registry Number: 42365-68-4
Synonyms: 5-(aminomethyl)-2-methoxyphenol hydrochloride, 3-Hydroxy-4-methoxybenzylamine hydrochloride, ACMC-20a7ei, AC1Q3BZS, SureCN1143719, 631337_ALDRICH, CTK8B8510, MolPort-001-760-356, ANW-60520, AKOS016003229, MCULE-7584082750, AK-94902, KB-32139, EN300-40869, 4-(Aminomethyl)-2-hydroxyanisole hydrochloride

Molecular Formula: C8H12ClNO2Molecular Weight: 189.639380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: IEVBKUSXLSVMOB-UHFFFAOYSA-N

• 2,4-Dichloroaniline
IUPAC Name: 2,4-dichloroaniline | CAS Registry Number: 554-00-7
Synonyms: 2,4-DICHLOROANILINE, o,p-Dichloroaniline, 2,4-Dichloranilin, 2,4-Dichlorobenzenamine, Aniline, 2,4-dichloro-, Benzenamine, 2,4-dichloro-, 2,4-Dichlorophenylamine, 2,4-DCA, WLN: ZR BG DG, 2,4-Dichloranilin [German], 1-Amino-2,4-dichlorobenzene, CCRIS 6012, HSDB 5428, 112151_ALDRICH, 35829_RIEDEL, NSC 8756, 35170_FLUKA, CHEBI:46635, EINECS 209-057-8, 2,4-dichloroaniline hydrochloride

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KQCMTOWTPBNWDB-UHFFFAOYSA-N

• 2-Bromo-4-NitroToluene
IUPAC Name: 2-bromo-1-methyl-4-nitrobenzene | CAS Registry Number: 7745-93-9
Synonyms: 2-Bromo-4-nitrotoluene, B74402_ALDRICH, Toluene, 2-bromo-4-nitro-, 1-Bromo-2-methyl-5-nitrobenzene, 2-Bromo-1-methyl-4-nitrobenzene, Benzene, 2-bromo-1-methyl-4-nitro-, EINECS 231-809-9, NSC402166, SBB007843, ZINC01081254, FR-0441, TL80073548, AE-641/04636041

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XFZFJQHXWJIBQV-UHFFFAOYSA-N

• 2-Oxindole
IUPAC Name: 1,3-dihydroindol-2-one | CAS Registry Number: 59-48-3
Synonyms: Oxindole, 2-Indolinone, Indolin-2-one, Oxindol, 2-Oxoindoline, 1,3-Dihydroindol-2-one, Indol-2(3H)-one, indolin-2(1H)-one, 1,3-Dihydro-2H-indol-2-one, O9808_ALDRICH, 2H-Indol-2-one, 1,3-dihydro-, 57260_FLUKA, CHEBI:31697, CPD-6361, NSC274863, SBB004215, ZINC00058282, TL806283, C12312, AH-034/32845032

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JYGFTBXVXVMTGB-UHFFFAOYSA-N

• 3,5-Dinitro acetophenone
IUPAC Name: 1-(3,5-dinitrophenyl)ethanone | CAS Registry Number: 14401-75-3
Synonyms: 3',5'-Dinitroacetophenone, NCIOpen2_005176, 631299_ALDRICH, NSC87635, CID258569, ST5437034

Molecular Formula: C8H6N2O5Molecular Weight: 210.143640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WGJQPJOLPLYFJH-UHFFFAOYSA-N

• 4-Iodoanisole
IUPAC Name: 1-iodo-4-methoxybenzene | CAS Registry Number: 696-62-8
Synonyms: p-Iodoanisole, Isoform, Anisole, p-iodo-, p-Methoxyiodobenzene, 4-Iodomethoxybenzene, 1-Iodo-4-methoxybenzene, Ambap36, 4-Methoxyiodobenzene, Benzene, 1-iodo-4-methoxy-, p-Iodophenyl methyl ether, 4-Iodophenyl methyl ether, I7608_ALDRICH, Anisole, p-iodo- (8CI), NSC60727, EINECS 211-798-7, NSC 60727, ZINC00391101, TL8004894, InChI=1/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H

Molecular Formula: C7H7IOMolecular Weight: 234.034350 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SYSZENVIJHPFNL-UHFFFAOYSA-N

• 6-bromo-4-oxo-4h-chromene-3-carboxylic acid
IUPAC Name: 6-bromo-4-oxochromene-3-carboxylic acid | CAS Registry Number: 51085-91-7
Synonyms: 6-Bromochromone-3-carboxylic acid, 6-BROMO-4-OXO-4H-CHROMENE-3-CARBOXYLIC ACID, AC1MBUMD, SureCN3344909, Ambap51085-91-7, CTK4J3614, AKOS000176837, AG-F-72392, 6-bromo-4-oxochromene-3-carboxylic acid, KB-199218, KB-247957

Molecular Formula: C10H5BrO4Molecular Weight: 269.048300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IJTWNMVKNJSGMS-UHFFFAOYSA-N

• 4-Chlorobenzoin
IUPAC Name: 1-(4-chlorophenyl)-2-hydroxy-2-phenylethanone | CAS Registry Number: 39774-18-0
Synonyms: 1-(4-Chlorophenyl)-2-hydroxy-2-phenylethanone, ACMC-1ADY3, SureCN142538, AGN-PC-00N0FX, 647276_ALDRICH, CTK4I1859, Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-, Ethanone, 1-(4-chlorophenyl)-2-hydroxy-2-phenyl-

Molecular Formula: C14H11ClO2Molecular Weight: 246.688940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XYUKKJIDPMMCMJ-UHFFFAOYSA-N

• 6-Chloro-4-hydroxycoumarin
IUPAC Name: 6-chloro-2-hydroxychromen-4-one | CAS Registry Number: 19484-57-2
Synonyms: 417343_ALDRICH, ZINC00058087, 6-chloro-4-hydroxy-2H-chromen-2-one, ST5331465, AI-204/31681024, InChI=1/C9H5ClO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11

Molecular Formula: C9H5ClO3Molecular Weight: 196.587200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UJHIADILZZWIED-UHFFFAOYSA-N

• 4-Bromo-2-chloroaniline
IUPAC Name: 4-bromo-2-chloroaniline | CAS Registry Number: 38762-41-3
Synonyms: Aniline, 4-bromo-2-chloro-, Benzenamine, 4-bromo-2-chloro-, 154245_ALDRICH, ZINC00388335, ST5406584, InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H

Molecular Formula: C6H5BrClNMolecular Weight: 206.467600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: INMZDDDQLHKGPF-UHFFFAOYSA-N

• 4-Bromo-3-methylbenzonitrile
IUPAC Name: 4-bromo-3-methylbenzonitrile | CAS Registry Number: 41963-20-6
Synonyms: 566365_ALDRICH, ZINC04218223, CID2737494, FS000053, ST5408669

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SKXUZFJOLNNWIG-UHFFFAOYSA-N

• 2-Hydroxy-6-methoxybenzaldehyde
IUPAC Name: 2-hydroxy-6-methoxybenzaldehyde | CAS Registry Number: 700-44-7
Synonyms: 6-Methoxysalicylaldehyde, ZINC01845794, CID69692, EINECS 211-844-6

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DZJPDDVDKXHRLF-UHFFFAOYSA-N

• 3-Iodo-4-methylbenzoic acid
IUPAC Name: 3-iodo-4-methylbenzoic acid | CAS Registry Number: 82998-57-0
Synonyms: 278858_ALDRICH, ARONIS023691, ALBB-006209, CID621640, SBB003083, AN-970/40920439, InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7IO2Molecular Weight: 262.044450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LDDHMKANNXWUAK-UHFFFAOYSA-N

• (2-amino-pyridin-3-yl)-methanol
IUPAC Name: (2-aminopyridin-3-yl)methanol | CAS Registry Number: 23612-57-9
Synonyms: 2-Aminopyridine-3-methanol, 2-amino-3-hydroxymethyl pyridine, AA-0706, TL8006937

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FEIACFYXEWBKHU-UHFFFAOYSA-N

• 3-Aminobenzophenone
IUPAC Name: (3-aminophenyl)-phenylmethanone | CAS Registry Number: 2835-78-1
Synonyms: 3-Benzoylaniline, m-Aminobenzophenone, Methanone, (3-aminophenyl)phenyl-, BENZOPHENONE, 3-AMINO-, NCIOpen2_001023, 255254_ALDRICH, EINECS 220-614-4, NSC 86511, NSC86511, BRN 2209413, ZINC00153255, SDCCGMLS-0065869.P001, LS-38869, ST5411474, 4-14-00-00247 (Beilstein Handbook Reference), InChI=1/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H

Molecular Formula: C13H11NOMolecular Weight: 197.232540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FUADXEJBHCKVBN-UHFFFAOYSA-N

• 2,6-Dichlorobenzothiazole
IUPAC Name: 2,6-dichloro-1,3-benzothiazole | CAS Registry Number: 3622-23-9
Synonyms: Benzothiazole, 2,6-dichloro-, 2,6-Dichloro-1,3-benzothiazole, 553670_ALDRICH, EINECS 222-819-4, ZINC00164515, SB 01025

Molecular Formula: C7H3Cl2NSMolecular Weight: 204.076420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QDZGJGWDGLHVNK-UHFFFAOYSA-N

• 2-methyl-5-aminobenzonitrile
IUPAC Name: 5-amino-2-methylbenzonitrile | CAS Registry Number: 50670-64-9
Synonyms: 5-Amino-2-methylbenzonitrile, 4-Amino-2-cyanotoluene, 5-Amino-2-methylbenzenecarbonitrile, SBB002351, ZINC00153676, 3-Cyano-4-methylaniline, SureCN61459, ACMC-20a01k, AC1MC35G, aminomethylbenzenecarbonitrile, KSC494S5R, 549584_ALDRICH, CTK3J4958, MolPort-001-769-098, ACN-S003736, ANW-50982, CL8221, WTI-11023, 5-azanyl-2-methyl-benzenecarbonitrile, AKOS005072982

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YDZVQWCVKXYGIU-UHFFFAOYSA-N

• 4-acetamido-2-methylnitrobenzene
IUPAC Name: N-(3-methyl-4-nitrophenyl)acetamide | CAS Registry Number: 51366-39-3
Synonyms: 4-Acetamido-2-methylnitrobenzene, 3-Methyl-4-nitroacetanilide, N-(3-methyl-4-nitrophenyl)acetamide, AC1MC77W, SureCN3164500, Oprea1_584551, 549703_ALDRICH, ACMC-1B137, CTK1G8950, MolPort-001-757-152, N-{4-nitro-3-methylphenyl}acetamide, OR0061, ZINC05019306, AKOS009159473, AG-E-86532, KB-105538, FT-0671998, AA-504/32988063, p-Acetotoluidide,3'-nitro- (6CI,7CI,8CI); 2-Nitro-4-(acetylamino)toluene;2-Nitro-4-acetamidotoluene; 3'-Nitro-p-acetotoluidide;4-(N-Acetylamino)-2-nitrotoluene; 4-Acetamido-2-nitrotoluene;4-Acetylamino-2-nitrotoluene; 4'-Methyl-3'-nitroacetanilide;N-(4-Methyl-3-nitrophenyl)acetamide; NSC 202380; NSC 86673

Molecular Formula: C9H10N2O3Molecular Weight: 194.187300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HTOMFNRBNSBPIU-UHFFFAOYSA-N

• 4-(Aminomethyl)benzonitrile hydrochloride
IUPAC Name: 4-(aminomethyl)benzonitrile hydrochloride | CAS Registry Number: 15996-76-6
Synonyms: 631396_ALDRICH, 4-Cyanobenzylamine hydrochloride, FR-2378, 4-Aminomethyl-benzonitrile hydrochloride

Molecular Formula: C8H9ClN2Molecular Weight: 168.623460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QREZLLYPLRPULF-UHFFFAOYSA-N

• 3-Iodo-4-Methylaniline
IUPAC Name: 3-iodo-4-methylaniline | CAS Registry Number: 35944-64-0
Synonyms: 3-Iodo-p-toluidine, p-Toluidine, 3-iodo-, 3-Iodo-4-methylaniline, 4-AMINO-2-IODOTOLUENE, 631264_ALDRICH, Benzenamine, 3-iodo-4-methyl-, EINECS 252-803-2, BRN 2353567, MolPort-001-760-352, CID118889, ZINC02169040, OR13024, Benzenamine, 3-iodo-4-methyl- (9CI), LS-154384, I0717, 2-12-00-00533 (Beilstein Handbook Reference), 29289-13-2

Molecular Formula: C7H8INMolecular Weight: 233.049590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RRUDMHNAMZFNEK-UHFFFAOYSA-N

• 2'-Hydroxyacetophenone
IUPAC Name: 1-(2-hydroxyphenyl)ethanone | CAS Registry Number: 118-93-4
Synonyms: 2-Acetylphenol, o-Acetylphenol, Acetophenone, 2'-hydroxy-, O-HYDROXYACETOPHENONE, Acetophenone, o-hydroxy-, 1-(2-Hydroxyphenyl)ethanone, Ethanone, 1-(2-hydroxyphenyl)-, USAF KE-20, o-Hydroxyphenyl methyl ketone, 2-Hydroxyphenyl methyl ketone, Methyl 2-hydroxyphenyl ketone, FEMA No. 3548, WLN: QR BV1, H18607_ALDRICH, ACETOPHENONE,2-HYDROXY, W354805_ALDRICH, 54150_FLUKA, EINECS 204-288-0, NSC9263, NSC 16933

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N

• 4-Acetamide Acetophenon
IUPAC Name: N-(4-acetylphenyl)acetamide | CAS Registry Number: 2719-21-3
Synonyms: 4-Acetamidoacetophenone, 4'-Acetylacetanilide, p-Acetylaminoacetophenone, 4'-Acetamidoacetophenone, N-(4-Acetylphenyl)acetamide, N-(p-Acetylphenyl)acetamide, 631361_ALDRICH, ARONIS018512, Acetamide, N-(4-acetylphenyl)-, NSC39449, EINECS 220-320-6, NSC 39449, ZINC00035845, ST005647, AI3-17739, AB-016/30007006

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

InChIKey: WECHHDJTILFYQT-UHFFFAOYSA-N

• 3',5'-Dimethoxy-4'-hydroxyacetophenone
IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone | CAS Registry Number: 2478-38-8
Synonyms: Acetosyringone, Acetosyringenin, Acetosyringon, Spectrum_001915, SpecPlus_000955, Spectrum2_000429, Spectrum3_001115, Spectrum4_001953, Spectrum5_000695, CCRIS 7286, BSPBio_002850, KBioGR_002389, KBioSS_002457, SPECTRUM300610, D134406_ALDRICH, DivK1c_007051, SPBio_000418, CHEBI:2404, 38766_FLUKA, EINECS 219-610-5

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N

• 2,5-Furandicarboxylic Acid
IUPAC Name: furan-2,5-dicarboxylic acid | CAS Registry Number: 3238-40-2
Synonyms: Dehydromucic acid, 2,5-Furandicarboxylic acid, AIDS018155, AIDS-018155, CID76720, NSC40740, EINECS 221-800-8, NSC 40740, Furane-alpha,alpha'-dicarboxylic acid, EC-000.1599, Furane-.alpha.,.alpha.'-dicarboxylic acid

Molecular Formula: C6H4O5Molecular Weight: 156.092960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: CHTHALBTIRVDBM-UHFFFAOYSA-N

• 3',5'-Dichloro-2'-hydroxyacetophenone
IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone | CAS Registry Number: 3321-92-4
Synonyms: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone, 3,5-Dichloro-2-hydroxyacetophenone, AG-F-11905, Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, 1-acetyl-3,5-dichloro-2-hydroxybenzene, ZINC00156199, AC1LAUHY, AC1Q1JLH, ACMC-1CQ4K, SureCN659333, 383392_ALDRICH, CTK4H0216, MolPort-000-142-023, BB_SC-6881, RW2809, SBB057875, STK811297, 3'5'-dichloro-2'-hydroxyacetophenone, AKOS000112355, MCULE-2461682757

Molecular Formula: C8H6Cl2O2Molecular Weight: 205.038040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CJFYGRLJDKWMDI-UHFFFAOYSA-N

• 3'-Bromo-4'-methylacetophenone
IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone | CAS Registry Number: 40180-80-1
Synonyms: 1-(3-bromo-4-methylphenyl)ethanone, 3-Bromo-4-methylacetophenone, zlchem 817, AC1MNT9C, SureCN407154, Ambap40180-80-1, 579734_ALDRICH, CTK4I2615, ZLD0278, MolPort-001-781-951, OTAVA-BB 1499626, ACT06223, ZINC02583727, AKOS015913125, AG-F-42236, AS03823, 1-(3-bromanyl-4-methyl-phenyl)ethanone, AK126585, AM807462, KB-213654

Molecular Formula: C9H9BrOMolecular Weight: 213.071160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PDJLFESXPVLVMR-UHFFFAOYSA-N

• 6-Bromo-3-cyanochromone
IUPAC Name: 6-bromo-4-oxochromene-3-carbonitrile | CAS Registry Number: 52817-13-7
Synonyms: 6-bromo-4-oxochromene-3-carbonitrile, 6-bromo-4-oxo-4h-chromene-3-carbonitrile, ST50319632, ZINC00085600, AC1LDXKR, SureCN11266430, CTK4J6562, ACT08291, WTI-11043, AKOS005202965, 6-bromo-4-oxo-1-benzopyran-3-carbonitrile, KB-199187, FT-0640111, 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo-, 6-bromanyl-4-oxidanylidene-chromene-3-carbonitrile, A829266

Molecular Formula: C10H4BrNO2Molecular Weight: 250.048260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MGVVCEKLWMZFLS-UHFFFAOYSA-N

• 2,4-Dimethoxyphenylacetic acid
IUPAC Name: 2-(2,4-dimethoxyphenyl)acetic acid | CAS Registry Number: 6496-89-5
Synonyms: 554197_ALDRICH, (2,4-Dimethoxyphenyl)acetic acid, NSC512596, CID350555, ST5408196

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZFXFMGARFHRTTO-UHFFFAOYSA-N

• 2,6-Dimethoxy-3-nitrobenzoic acid
IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid | CAS Registry Number: 55776-17-5
Synonyms: EINECS 259-814-1, CID3085094, ST5407894

Molecular Formula: C9H9NO6Molecular Weight: 227.170860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YIKBQFPTPKEFSM-UHFFFAOYSA-N

• 4-Iodobenzylamine hydrochloride
IUPAC Name: (4-iodophenyl)methanamine;hydrochloride | CAS Registry Number: 59528-27-7
Synonyms: (4-iodophenyl)methanamine hydrochloride, 4-Iodobenzylamine HCl, SBB058995, (4-iodophenyl)methylamine, chloride, 4-IODOBENZYLAMINE, HYDROCHLORIDE SALT, PubChem3304, ACMC-209tzk, SureCN855336, 4-IodobenzylamineHydrochloride, 597139_ALDRICH, CTK3J3252, MolPort-001-770-951, ACT08160, ANW-43134, AKOS005255109, AS02223, AK-87256, KB-86289, Q491, AB1005565

Molecular Formula: C7H9ClINMolecular Weight: 269.510530 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GBJMURRFWZREHE-UHFFFAOYSA-N

• 4-(4-Chlorophenyl)-4-Oxobutanoic Acid
IUPAC Name: 4-(4-chlorophenyl)-4-oxobutanoic acid | CAS Registry Number: 3984-34-7
Synonyms: Maybridge1_006214, NSC5137, NCIStruc1_000312, NCIStruc2_000239, 3-(4-Chlorobenzoyl)propionic acid, Oprea1_859574, 439924_ALDRICH, NCI5137, CID77604, NSC-5137, 4-(4-Chlorophenyl)-4-oxobutanoic acid, EINECS 223-627-3, NCGC00013054, SBB003421, STK208513, NCGC00096178-01, NCI60_004245, Benzenebutanoic acid, 4-chloro-gamma-oxo-, AI3-07203, Benzenebutanoic acid, 4-chloro-.gamma.-oxo-

Molecular Formula: C10H9ClO3Molecular Weight: 212.629660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AHVASTJJVAYFPY-UHFFFAOYSA-N

• 3-(3-Chlorophenyl)propanoic Acid
IUPAC Name: 3-(3-chlorophenyl)propanoic acid | CAS Registry Number: 21640-48-2
Synonyms: 631302_ALDRICH, 3-(3-chlorophenyl)propanoic acid, 3-(3-Chlorophenyl)propionic acid, 3-(3-Chloro-phenyl)-propionic acid, CID177164, BAS 10861260, BBV-096853, AJ-087/41885649

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CLTDVBQNUHHYCA-UHFFFAOYSA-N

• 4,4,4-Trifluoro-1-(4-Methoxyphenyl)-1,3-Butanedione
IUPAC Name: 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione | CAS Registry Number: 15191-68-1
Synonyms: TOS-BB-0662, ALBB-006418, CID139903, STK298670, BBV-105463, 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, 2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-

Molecular Formula: C11H9F3O3Molecular Weight: 246.182570 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: NNEIYSHJFCLFES-UHFFFAOYSA-N

• 3-CHLOROCOUMARIN
IUPAC Name: 3-chlorochromen-2-one | CAS Registry Number: 92-45-5
Synonyms: 3-Chlorocoumarin, Coumarin, 3-chloro-, Ambcb5102979, 3-Chloro-2H-chromen-2-one, NSC54855, 2H-1-Benzopyran-2-one, 3-chloro-, 579572_ALDRICH, MolPort-002-130-138, AIDS124841, HMS1607G19, 3-Chloro-2H-1-benzopyran-2-one, AIDS-124841, CID96133, NSC 54855, ZINC00225812, C2297

Molecular Formula: C9H5ClO2Molecular Weight: 180.587800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CKCOPMSBJBNBCQ-UHFFFAOYSA-N

• 2,4-DICHLORO-6-IODOANILINE
IUPAC Name: 2,4-dichloro-6-iodoaniline | CAS Registry Number: 697-90-5
Synonyms: 2,4-dichloro-6-iodoaniline, AG-G-72296, ST51040176, ZINC05239868, AC1OOD5I, SureCN2766389, 4,6-dichloro-2-iodophenylamine, CTK5D1350, MolPort-016-582-368, Benzenamine,2,4-dichloro-6-iodo-, Benzenamine, 2,4-dichloro-6-iodo-, 1-Amino-2,4-dichloro-6-iodobenzene, AKOS016008826, AM61652, AK110472, BD227781, KB-17399, Aniline,2,4-dichloro-6-iodo- (7CI,8CI);2,4-Dichloro-6-iodoaniline;

Molecular Formula: C6H4Cl2INMolecular Weight: 287.913130 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YJRSMJTVXWBFJJ-UHFFFAOYSA-N

• 2,4-Dihydroxy Benzoic Acid
IUPAC Name: 2,4-dihydroxybenzoic acid | CAS Registry Number: 89-86-1
Synonyms: beta-Resorcylic acid, 2,4-dihydroxybenzoic acid, 4-Carboxyresorcinol, p-Hydroxysalicylic acid, .beta.-Resorcylic acid, 4-Hydroxysalicylic acid, beta-Resorcinolic acid, Benzoic acid, 2,4-dihydroxy-, 2,4-Dhba, RESORCYLIC ACID, BETA, .beta.-Resorcinolic acid, Oprea1_259729, MLS001055408, D109401_ALDRICH, W379808_ALDRICH, 37530_FLUKA, EINECS 201-946-9, CID1491, NSC4740, NSC 13564

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

• 3,4-Dihydroxyphenylcaetic acid
IUPAC Name: 2-(3,4-dihydroxyphenyl)acetic acid | CAS Registry Number: 102-32-9
Synonyms: Dopac, Dopacetic acid, 3,4-Dihydroxyphenylacetic acid, Homoprotocatechuic acid, Homogentisic acid, Homoprotocatechuate, 3pcn, Dihydroxyphenylacetic acid, Ambap110, 1ai4, 3,4-dihydroxyphenylacetate, Lopac-D-9128, Benzeneacetic acid, 3,4-dihydroxy-, 3,4-Dihydroxybenzeneacetic acid, Acetic acid, (3,4-dihydroxyphenyl)-, CCRIS 3765, 3,4-Dihydroxyphenyl acetate, NCIOpen2_000518, Lopac0_000414, 3,4-dihydroxyphenyl acetic acid

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: CFFZDZCDUFSOFZ-UHFFFAOYSA-N

• 3',4',5'-Trimethoxyacetophenone
IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethanone | CAS Registry Number: 1136-86-3
Synonyms: 1-(3,4,5-TRIMETHOXYPHENYL)ETHANONE, 3,4,5-Trimethoxyacetophenone, Ethanone, 1-(3,4,5-trimethoxyphenyl)-, ZINC00057170, PubChem22820, ACMC-1C5OS, bmse010088, SureCN290542, AC1Q47MQ, T68101_ALDRICH, (3,5-Trimethoxy)acetophenone, AC1L23N7, (3,4,5-Trimethoxy)acetophenone, CTK4A8403, MolPort-000-881-380, BB_SC-6797, 1-acetyl-3,4,5-trimethoxybenzene, ACT07863, NSC30099, EINECS 214-501-9

Molecular Formula: C11H14O4Molecular Weight: 210.226460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VUGQIIQFXCXZJU-UHFFFAOYSA-N

• 4-Bromomethylphenylacetic acid
IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid | CAS Registry Number: 13737-36-5
Synonyms: 4-(Bromomethyl)phenylacetic acid, 4-BROMOMETHYLPHENYLACETIC ACID, 2-(4-(bromomethyl)phenyl)acetic acid, 2-[4-(bromomethyl)phenyl]acetic Acid, 4-(Bromomethyl)phenylaceticAcid, 4-(Carboxymethyl)benzyl Bromide, 4-(bromomethyl)phenyl acetic acid, SBB063870, zlchem 1333, PAM ACID, BR-PAM-LINKER, PubChem16459, ACMC-1CBWX, AC1NCXS0, SureCN219773, KSC493A0F, 310417_ALDRICH, PARAGOS 440036, CTK3J3002, ZLE0111

Molecular Formula: C9H9BrO2Molecular Weight: 229.070560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WCOCCXZFEJGHTC-UHFFFAOYSA-N

• 2,5-Dimethoxyphenylacetic acid
IUPAC Name: 2-(2,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 1758-25-4
Synonyms: Benzeneacetic acid, 2,5-dimethoxy-, NCIOpen2_000689, MLS000037734, D135801_ALDRICH, (2,5-Dimethoxyphenyl)acetic acid, (2,5-Dimethoxyphenyl)-acetic acid, Acetic acid, (2,5-dimethoxyphenyl)-, NSC74696, EINECS 217-151-5, NSC 74696, SMR000036664, AI3-52356, ST5036755, AC-907/25014280, InChI=1/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BBZDYQUXRFATHZ-UHFFFAOYSA-N

• 4-Chloro-3,5-dinitrobenzonitrile
IUPAC Name: 4-chloro-3,5-dinitrobenzonitrile | CAS Registry Number: 1930-72-9
Synonyms: 4-Chloro-3,5-dinitrobenzenenitrile, C38958_ALDRICH, EINECS 217-686-4, BENZONITRILE, 4-CHLORO-3,5-DINITRO-, NSC 74453, NSC74453, BRN 1990451, SBB003307, ZINC01620979, AI3-28718, LS-38662, InChI=1/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2

Molecular Formula: C7H2ClN3O4Molecular Weight: 227.561480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SCGDEDHSPCXGEC-UHFFFAOYSA-N

• 1,2-Diacetylhydrazine
IUPAC Name: N'-acetylacetohydrazide | CAS Registry Number: 3148-73-0
Synonyms: N,N'-Diacetylhydrazine, Diacetylahydrazine, Diacetyl hydrazine, Diacetylhydrazine, sym-Diacetylhydrazine, N'-Acetylacetohydrazide, 1.2-diacetylhydrazine, Hydrazine, 1,2-diacetyl-, Acetic acid, 2-acetylhydrazide, D8402_ALDRICH, NSC 42939, EINECS 221-576-1, AIDS018525, AIDS-018525, Hydrazine, 1,2-diacetyl- (8CI), NSC42939, ZINC01675730, LS-7304, D1041, C16622

Molecular Formula: C4H8N2O2Molecular Weight: 116.118520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZLHNYIHIHQEHJQ-UHFFFAOYSA-N

• 4-Acetamido-2-methylacetophenone
IUPAC Name: N-(4-acetyl-3-methylphenyl)acetamide | CAS Registry Number: 34956-31-5
Synonyms: 4'-Acetamido-2'-methylacetophenone, N-(4-Acetyl-3-methylphenyl)acetamide, SBB058980, ZINC02579288, PubChem12562, AC1Q1KPA, SureCN3326689, 549673_ALDRICH, AC1MC782, CTK6A0733, MolPort-001-757-154, ACT08035, m-Acetotoluidide,4'-acetyl- (6CI);, AG-A-63165, AG-F-20083, MCULE-6934049071, N-(4-Acetyl-3-methyl-phenyl)-acetamide, AK139232, KB-36104, N-(4-ethanoyl-3-methyl-phenyl)ethanamide

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

InChIKey: PTARWPNYVATTDE-UHFFFAOYSA-N

• 6-Bromo-4-hydroxycoumarin
IUPAC Name: 6-bromo-4-hydroxychromen-2-one | CAS Registry Number: 4139-61-1
Synonyms: 6-Bromo-4-Hydroxycoumarin, 6-bromo-4-hydroxy-2h-chromen-2-one, CHEMBL2032372, 6-bromo-4-hydroxychromen-2-one, SBB067637, 6-Bromo-4-hydroxy-2H-1-Benzopyran-2-one, AC1LEN2C, AC1Q78K2, 6-bromo-2-hydroxychromen-4-one, CTK4I4779, MolPort-000-152-124, ACT08288, ANW-57783, AKOS005203312, AG-A-89280, MCULE-8864295793, AK-42852, KB-199207, 2H-1-Benzopyran-2-one,6-bromo-4-hydroxy-, FT-0635147

Molecular Formula: C9H5BrO3Molecular Weight: 241.038200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KNMCTCABMSGXGR-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxyphenylacetic acid
IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 4385-56-2
Synonyms: Homosyringic acid, Ambap4827, 631310_ALDRICH, EINECS 224-494-4, 4-Hydroxy-3,5-dimethoxyphenylacetic acid, 3,5-DIMETHOXY-4-HYDROXY-PHENYLACETIC ACID

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BQBQKSSTFGCRQL-UHFFFAOYSA-N

• 4'-Chloro-3'-nitroacetophenone
IUPAC Name: 1-(4-chloro-3-nitrophenyl)ethanone | CAS Registry Number: 5465-65-6
Synonyms: 193968_ALDRICH, EINECS 226-769-4, 1-(4-Chloro-3-nitrophenyl)ethanone, Acetophenone, 4'-chloro-3'-nitro-, ALD-N026743, NSC25820, 1-{4-chloro-3-nitrophenyl}ethanone, ZINC00155344, Ethanone, 1-(4-chloro-3-nitrophenyl)-, 4-CHLORO-3-NITRO ACETOPHENONE, LS-184948, AH-034/32829032

Molecular Formula: C8H6ClNO3Molecular Weight: 199.591140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YEVPHFIFGUWSMG-UHFFFAOYSA-N

• 3-Amino-5-nitrobenzoic acid
IUPAC Name: 3-amino-5-nitrobenzoic acid | CAS Registry Number: 618-84-8
Synonyms: Benzoic acid, 3-amino-5-nitro-, 3-Amino-5-nitro-benzoic acid, ZERO/001510, NSC44297

Molecular Formula: C7H6N2O4Molecular Weight: 182.133540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZNVHAQRPXAQKRU-UHFFFAOYSA-N

• 7-Methoxy-1-tetralone
IUPAC Name: 7-methoxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 6836-19-7
Synonyms: NCIOpen2_001805, 163368_ALDRICH, NSC97611, EINECS 229-916-0, ZINC04521666, 1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-, ST5408201, 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GABLTKRIYDNDIN-UHFFFAOYSA-N


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