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Natland International Corporation

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Profile: Natland International Corporation deals with complex multi-step custom organic synthesis in pharmaceutical chemistry. Our product line includes natural products, steroidal raw materials & intermediates, organic chemicals and reagents & pharmaceutical intermediates.

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• R-(-)-2-Chloromandelic Acid
IUPAC Name: (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 52950-18-2
Synonyms: (R)-(-)-2-Chloromandelic acid, (R)-2-Chloromandelic acid, (R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid, (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid, PubChem5742, AC1MBZCR, SureCN24732, 2-Chloro-D-mandelic Acid, AC1Q59EN, KSC914S2L, 478873_ALDRICH, CTK8B4925, MolPort-002-344-079, ACN-S004242, ANW-46708, RP24670, AC-11667, AK-81922, TL8003481, (R)-2-Chloro-alpha-hydroxyphenylacetic Acid

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RWOLDZZTBNYTMS-SSDOTTSWSA-N

• Ricobendazole
IUPAC Name: N-(4-hydroxyphenyl)methanesulfonamide | CAS Registry Number: 51767-39-6
Synonyms: N-(4-hydroxyphenyl)methanesulfonamide, (4-hydroxyphenyl)(methylsulfonyl)amine, ST51043951, ZINC03074663, AC1NAV2Q, AC1Q4GQA, SureCN518114, Oprea1_693795, CTK7J9447, MolPort-000-631-669, ANW-66552, AKOS001106068, AG-C-15261, AG-F-75528, MB01417, MCULE-3452517972, N-(4-hydroxyphenyl)-methanesulfonamide, thanesulfonamide, N-(4-hydroxyphenyl)-, AK-39152, KB-55935

Molecular Formula: C7H9NO3SMolecular Weight: 187.216260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YJASRJZSSUOGKB-UHFFFAOYSA-N

• Sesamin
IUPAC Name: 5-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-1,3-benzodioxole | CAS Registry Number: 607-80-7
Synonyms: sesamin, Asarinin, Fagarol, Sezamin, Episesamin, d-Sesamin, (+)-Sesamin, D-(+)-Sesamin, (+)-Segamin, Ambap957, PSEUDO CUBEBIN, MLS000728578, S9314_SIGMA, ACon0_000323, ACon1_002421, NSC 36403, AIDS002473, AIDS-002473, C20H18O6, CID72307

Molecular Formula: C20H18O6Molecular Weight: 354.353320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PEYUIKBAABKQKQ-AFHBHXEDSA-N

• Shikimic Acid
IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid | CAS Registry Number: 138-59-0
Synonyms: shikimic acid, shikimate, L-Shikimic acid, 2aay, (-)-Shikimic acid, Bracken fern toxic component, Spectrum_001232, 1we2, 2aa9, SpecPlus_000488, Spectrum2_001508, Spectrum3_001541, Spectrum4_001853, Spectrum5_000386, CCRIS 7681, HSDB 3537, BSPBio_002982, KBioGR_002287, KBioSS_001712, DivK1c_006584

Molecular Formula: C7H10O5Molecular Weight: 174.151300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: JXOHGGNKMLTUBP-HSUXUTPPSA-N

• Solanesol
IUPAC Name: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol | CAS Registry Number: 13190-97-1
Synonyms: Nonaisoprenol, Betulanonaprenol, Betulaprenol 9, Solanesol from tobacco, S8754_SIGMA, SPECTRUM1505325, NSC299938, SDCCGMLS-0066857.P001, NCGC00095707-01, NCGC00095707-02, LS-75528, SL-02577, 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-, 111820-07-6, 15639-69-7, 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-, 540-03-4

Molecular Formula: C45H74OMolecular Weight: 631.068460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AFPLNGZPBSKHHQ-MEGGAXOGSA-N

• Tigogenin
Synonyms: Sarsasapogenin, sarsasopogenin, Neotigogenin, Smilagenin, Parigenin, Spirostan-3-ol, 3-Episarsasapogenin, NSC1615, NSC93754, CID92095, CPD-1946, NSC231816, NSC232021, (25S)-5-beta-spirostan-3-beta-ol, (25R)-5.alpha.-Spirostan-3.beta.-ol, Spirostan-3-ol, (3.beta.,5.beta.,25S)-, Spirostan-3-ol, (3.beta.,5.alpha.,25R)-, 5.alpha.-Spirostan-3.beta.-ol, (25R)-, 5.beta.-Spirostan-3.beta.-ol, (25S)-, Spirostan-3-ol, (3.beta.,5.beta.,25R)-

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMBQZIIUCVWOCD-UHFFFAOYSA-N

• Trans 4-Amino Cyclohexanol
IUPAC Name: 4-aminocyclohexan-1-ol | CAS Registry Number: 27489-62-9
Synonyms: 4-Aminocyclohexanol, nchembio.87-comp52, trans-4-Aminocyclohexanol, trans-4-Amino-cyclohexanol, trans-4-Aminocyclohexan-1-ol, Cyclohexanol, 4-amino-, trans-, EINECS 229-943-8, EINECS 248-492-8, SBB005825, TL8002212, 6850-65-3

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N

• Ursolic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

• 16-Dehydropregnenolone Acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | CAS Registry Number: 979-02-2
Synonyms: Dehydropregnenolone acetate, 16-Dehydropregnenolone acetate, 16,17-Didehydropregnenolone acetate, EINECS 213-558-7, NSC 37741, CID92855, NSC37741, BRN 1026798, 3beta-Acetoxypregna-5,16-dien-20-one, ZINC02105100, 20-Oxopregna-5,16-dien-3beta-yl acetate, KS-1008, 20-Oxopregna-5,16-dien-3-beta-yl acetate, 3.beta.-Acetoxypregna-5,16-dien-20-one, 3beta-Acetyloxy-pregna-5,16-dien-20-one, LS-118517, (3-beta)-3-(Acetyloxy)pregna-5,16-dien-20-one, 20-Oxopregna-5,16-dien-3.beta.-yl acetate, C14503, Pregna-5,16-dien-20-one, 3-beta-hydroxy-, acetate

Molecular Formula: C23H32O3Molecular Weight: 356.498380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MZWRIOUCMXPLKV-RFOVXIPZSA-N

• 2-Iodobenzyl Alcohol
IUPAC Name: (2-iodophenyl)methanol | CAS Registry Number: 5159-41-1
Synonyms: 2-Iodobenzyl alcohol, 2-Iodobenzylic alcohol, Benzenemethanol, 2-iodo-, (2-Iodophenyl)methanol, Benzyl alcohol, o-iodo-, 183636_ALDRICH, ZINC00391102, EINECS 225-933-2, CID107629, FS000604, LT03383027, InChI=1/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H

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

InChIKey: WZCXOBMFBKSSFA-UHFFFAOYSA-N

• 2-Fluoro-5-nitrobenzaldehyde
IUPAC Name: 2-fluoro-5-nitrobenzaldehyde | CAS Registry Number: 27996-87-8
Synonyms: Ambap628, 454281_ALDRICH, ZINC02584302, CID2734770

Molecular Formula: C7H4FNO3Molecular Weight: 169.109963 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VVXFDFQEIRGULC-UHFFFAOYSA-N

• 7-Chlorothieno[3,2-d]pyrimidine
IUPAC Name: 4-chlorothieno[3,2-d]pyrimidine | CAS Registry Number: 16269-66-2
Synonyms: 4-Chlorothieno[3,2-d]pyrimidine, ZINC00159912, AS0055, CID2735821, GK 00377

Molecular Formula: C6H3ClN2SMolecular Weight: 170.619420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TWTODSLDHCDLDR-UHFFFAOYSA-N

• 2-Phenylpyridine-4-carboxylic acid
IUPAC Name: 2-phenylpyridine-4-carboxylic acid | CAS Registry Number: 55240-51-2
Synonyms: 2-Phenylisonicotinic acid, 2-phenylpyridine-4-carboxylic Acid, SBB052864, ACMC-209llr, AC1MC7FG, SureCN648273, 2-(Phenyl)-isonicotinic acid, CTK1G9050, MolPort-001-761-162, 4-Pyridinecarboxylicacid, 2-phenyl-, ANW-32269, AKOS004911929, AG-F-92913, CCG-139870, MCULE-2481057359, AK-91665, KB-86063, A-2812, Isonicotinicacid, 2-phenyl- (6CI);2-Phenylisonicotinic acid;2-Phenylpyridine-4-carboxylicacid;

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

InChIKey: OMMKWOVBOKXXQU-UHFFFAOYSA-N

• 6-Bromochromanone
IUPAC Name: 6-bromo-2,3-dihydrochromen-4-one | CAS Registry Number: 49660-57-3
Synonyms: 6-bromo-2,3-dihydro-4H-chromen-4-one, 6-bromochroman-4-one, 6-Bromo-4-chromanone, 6-bromo-2,3-dihydrochromen-4-one, AN-829/25042004, 6-bromo-2,3-dihydro-1-benzopyran-4-one, 6-Bromo-3,4-Dihydro-2H-1-Benzopyran-4-One, 4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-, zlchem 451, PubChem17577, ACMC-209khb, AC1N5MJI, SureCN67609, KSC497O3D, AC1Q259T, AC1Q259U, CTK3J7731, ZLC0313, MolPort-003-352-037, ACN-S002140

Molecular Formula: C9H7BrO2Molecular Weight: 227.054680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PFLPVOXSUCCZDH-UHFFFAOYSA-N

• 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
IUPAC Name: 8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one | CAS Registry Number: 28957-72-4
Synonyms: EINECS 249-329-3, MO 07738, TL8002286, 8-Benzyl-8-azabicyclo(3.2.1)octan-3-one, 8-benzyl-8-azabicyclo[3.2.1]octan-3-one

Molecular Formula: C14H17NOMolecular Weight: 215.290880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RSUHKGOVXMXCND-UHFFFAOYSA-N

• 2,6-Diisopropyl-4-nitroaniline
IUPAC Name: 4-nitro-2,6-di(propan-2-yl)aniline | CAS Registry Number: 163704-72-1
Synonyms: 4-nitro-2,6-di(propan-2-yl)aniline, AC1N2WY1, SureCN3607570, CTK4D1623, ZINC04202647, AKOS015911014, AG-E-13571, AK-62986, KB-166016, FT-0643581, Benzenamine,2,6-bis(1-methylethyl)-4-nitro-, D18101, A810502, I14-38930, 2,6-Diisopropyl-4-nitroaniline;2,6-Bis(1-methylethyl)-4-nitroaniline;4-Nitro-2,6-di(propan-2-yl)aniline;

Molecular Formula: C12H18N2O2Molecular Weight: 222.283520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VQMXCKREXFUBLS-UHFFFAOYSA-N

• 4-Amino-6-Hydroxypyrazolo[3,4-D]Pyrimidine
IUPAC Name: 4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-one | CAS Registry Number: 5472-41-3
Synonyms: Oprea1_561915, NSC28415, EINECS 226-811-1, SBB004064, ZINC03860174, 4-Aminopyrazolo(3,4-d)pyrimidin-6-ol, 4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ol, 4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine, 6H-Pyrazolo[3,4-d]pyrimidin-6-one, 4-amino-1,5-dihydro-

Molecular Formula: C5H5N5OMolecular Weight: 151.126100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KTQYLKORCCNJTQ-UHFFFAOYSA-N

• 3-Cyano-6-methyl-2-pyridone
IUPAC Name: 6-methyl-2-oxo-1H-pyridine-3-carbonitrile | CAS Registry Number: 4241-27-4
Synonyms: 278246_ALDRICH, 2-hydroxy-6-methylnicotinonitrile, 2-Hydroxy-6-methyl-nicotinonitrile, 3-Cyano-6-methyl-2(1)-pyridone, NSC15124, 3-Cyano-2-hydroxy-6-methylpyridine, EINECS 224-202-5, NSC 15124, ZINC00039564, 3-Cyano-6-methyl-2(1H)-pyridinone, BAS 04382017, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-, 1,2-Dihydro-6-methyl-2-oxonicotinonitrile, ST5275297, ST5331222, 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-, AE-842/30162007, 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile, 6-Methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo- (8CI)

Molecular Formula: C7H6N2OMolecular Weight: 134.135340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FIMGYEKEYXUTGD-UHFFFAOYSA-N

• 2-Acetyl Furan
IUPAC Name: 1-furan-2-ylethanone | CAS Registry Number: 1192-62-7
Synonyms: Acetylfuran, 2-Acetylfuran, 2-Furylethanone, Ketone, 2-furyl methyl, 2-Furyl methyl ketone, 1-(2-Furyl)ethanone, Furan, 2-acetyl-, Methyl 2-furyl ketone, Ethanone, 1-(2-furanyl)-, FEMA No. 3163, CCRIS 3161, 1-(2-FURANYL)ETHANONE, A16254_ALDRICH, 2-Furyl methyl ketone (natural), W316318_ALDRICH, W316350_ALDRICH, NSC 4665, 48200_FLUKA, EINECS 214-757-1, NSC4665

Molecular Formula: C6H6O2Molecular Weight: 110.110640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N

• 4-Hydroxy-2,6-dimethoxybenzaldehyde
IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde | CAS Registry Number: 22080-96-2
Synonyms: 392936_ALDRICH, ZINC02379824, 2,6-Dimethoxy-4-hydroxybenzaldehyde, CID529894, SBB008640, FR-2359, Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl), InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HZWPJAZIRZFCGX-UHFFFAOYSA-N

• 4-Acetamidocyclohexanol
IUPAC Name: N-(4-hydroxycyclohexyl)acetamide | CAS Registry Number: 23363-88-4
Synonyms: N-(4-Hydroxycyclohexyl)acetamide, EINECS 245-613-6, EINECS 248-491-2, NSC130812, NSC150046, trans-N-(4-Hydroxycyclohexyl)acetamide, Acetamide, N-(4-hydroxycyclohexyl)-, cis-, Acetamide, N-(4-hydroxycyclohexyl)-, trans-, 27489-60-7

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HWAFCRWGGRVEQL-UHFFFAOYSA-N

• 3-Nitro-4-FluoroBenzoic Acid
IUPAC Name: 4-fluoro-3-nitrobenzoic acid | CAS Registry Number: 453-71-4
Synonyms: 4-Fluoro-3-nitrobenzoic acid, p-Fluoro-3-nitrobenzoic acid, F3511_SIGMA, 329045_ALDRICH, TOS-BB-0111, NSC10311, EINECS 207-221-3, SBB008336, FR-1253, TL80073589, InChI=1/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4FNO4Molecular Weight: 185.109363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BOJWTAQWPVBIPG-UHFFFAOYSA-N

• 1-N-Boc-Piperazine
IUPAC Name: tert-butyl piperazine-1-carboxylate | CAS Registry Number: 57260-71-6
Synonyms: 1-Boc-piperazine, 1-N-Boc-piperazine, t-Butyl 1-piperazincarboxylate, N-t-Butoxycarbonylpiperazine, t-Butyl 1-piperaziencarboxylate, 343536_ALDRICH, ARONIS005638, tert-butyl piperazine-1-carboxylate, 15502_FLUKA, ST5210645, TL8003687, 1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N

• 2-Ethylimidazole
IUPAC Name: 2-ethyl-1H-imidazole | CAS Registry Number: 1072-62-4
Synonyms: Imidazole, 2-ethyl-, 1H-Imidazole, 2-ethyl-, 239348_ALDRICH, EINECS 214-011-5, 2EZ, 81833-72-9

Molecular Formula: C5H8N2Molecular Weight: 96.130420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PQAMFDRRWURCFQ-UHFFFAOYSA-N

• 7-Bromo-1-heptene
IUPAC Name: 7-bromohept-1-ene | CAS Registry Number: 4117-09-3
Synonyms: 7-bromohept-1-ene, 1-Heptene, 7-bromo, AG-F-46346, bromo-7 heptene-1, AC1LAZF2, ACMC-2097en, KSC235K6R, 527513_ALDRICH, CTK1D5568, MolPort-003-935-921, ACN-S002183, ACN-S004505, ACT03108, ANW-13869, SBB070722, ZINC02381580, AKOS013153300, AK-40908, KB-47245, 7-Bromohept-1-ene; Bromo(7-)-1-heptene

Molecular Formula: C7H13BrMolecular Weight: 177.082120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GNYDYUQVALBGGZ-UHFFFAOYSA-N

• 4-Amino-1H-pyrazolo[3,4-D]pyrimidine
IUPAC Name: 4H-pyrazolo[3,4-d]pyrimidin-4-amine | CAS Registry Number: 20289-44-5
Synonyms: EINECS 243-691-6, 4-Aminopyrazolo(3,4-d)pyrimidine, CID89308, 4H-Pyrazolo(3,4-d)pyrimidin-4-amine

Molecular Formula: C5H5N5Molecular Weight: 135.126700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VAOHIJMLMILFFA-UHFFFAOYSA-N

• 5-Fluorocytidine
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one | CAS Registry Number: 2341-22-2
Synonyms: CYTIDINE, 5-FLUORO-, 543020_ALDRICH, CHEBI:38190, ZINC04255900, LS-59078, TL8001942

Molecular Formula: C9H12FN3O5Molecular Weight: 261.207083 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: STRZQWQNZQMHQR-UAKXSSHOSA-N

• 2-Fluoro-5-methoxyphenylboronic acid
IUPAC Name: (4-iodophenyl)methanol | CAS Registry Number: 18282-51-4
Synonyms: 4-Iodobenzyl alcohol, p-Iodobenzyl alcohol, p-lodo-benzyl alcohol, Benzenemethanol, 4-iodo-, Ambap4023, BENZYL ALCOHOL, p-IODO-, 523496_ALDRICH, AIDS017548, AIDS-017548, BRN 1931621, ZINC00403413, LS-43058, TL8006715, 4-06-00-02606 (Beilstein Handbook Reference)

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

InChIKey: CNQRHSZYVFYOIE-UHFFFAOYSA-N

• 3-aminocrotononitrile
IUPAC Name: (E)-3-aminobut-2-enenitrile | CAS Registry Number: 1118-61-2
Synonyms: 3-Aminocrotononitrile, 'Diacetonitrile', 3-Aminocrotonitrile, 3-Iminobutyronitrile, .beta.-Aminocrotononitrile, 3-Amino-2-butenenitrile, 2-Butenenitrile, 3-amino-, 117641_ALDRICH, EINECS 214-266-2, NSC 102759, AI3-52447, T0517-6177, InChI=1/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2

Molecular Formula: C4H6N2Molecular Weight: 82.103840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DELJOESCKJGFML-DUXPYHPUSA-N

• 2-Iodobenzenesulfonic Acid
IUPAC Name: 2-iodobenzenesulfonic acid | CAS Registry Number: 63059-25-6
Synonyms: 2-iodobenzenesulfonic Acid, SBB055489, AG-G-33002, ACMC-1BCXR, AC1MCSV2, 2-Iodobenzenesulphonic acid, Benzenesulfonic acid,2-iodo-, 2-iodobenzene-1-sulfonic acid, CTK5B7326, MolPort-009-196-989, ANW-34528, WT1401, AKOS015890836, RP06662, AK-68290, BR-68290, KB-24662, AM20040907, FT-0650747, I0758

Molecular Formula: C6H5IO3SMolecular Weight: 284.071570 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZJTNYBYLBTVLRD-UHFFFAOYSA-N

• 3-Iodobenzaldehyde
IUPAC Name: 3-iodobenzaldehyde | CAS Registry Number: 696-41-3
Synonyms: 550760_ALDRICH, NSC74694, ZINC00078154, A1991/0083712

Molecular Formula: C7H5IOMolecular Weight: 232.018470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RZODAQZAFOBFLS-UHFFFAOYSA-N

• 3-Acetylbenzoic acid
IUPAC Name: 3-acetylbenzoic acid | CAS Registry Number: 586-42-5
Synonyms: NSC2932, 253839_ALDRICH, ALBB-006410, CID220324, ACETOPHENONE-3-CARBOXYLIC ACID, ST5405626

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CHZPJUSFUDUEMZ-UHFFFAOYSA-N

• 5Alpha-Androst-16-En-3Alpha-Ol
IUPAC Name: (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 1153-51-1
Synonyms: Androstenol, Androst-16-en-3-ol, Androst-16-en-3alpha-ol, Spectrum5_002029, 3alpha-Hydroxyandrost-16-ene, 5alpha-Androst-16-en-3alpha-ol, 3.alpha.-Hydroxyandrost-16-ene, CHEBI:40933, 16,17-ANDROSTENE-3-OL, (3alpha,5alpha)-Androst-16-en-3-ol, NSC71076, EINECS 214-573-1, LMST02020008, NSC 71076, ZINC04352598, 5.alpha.-Androst-16-en-3.alpha.-ol, LS-193301, Androst-16-en-3-ol, (3.alpha.,5.alpha.)-, Androst-16-en-3-ol, (3alpha,5alpha)- (9CI), 7148-51-8

Molecular Formula: C19H30OMolecular Weight: 274.440900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KRVXMNNRSSQZJP-PHFHYRSDSA-N

• 5-Bromo-2-Chloro-4-Iodopyridine
IUPAC Name: 5-bromo-2-chloro-4-iodopyridine | CAS Registry Number: 401892-47-5
Synonyms: 5-Bromo-2-chloro-4-iodopyridine, 5-bromo-2-chloro-4-Iodo-pyridine, SBB062698, AG-F-42287, bromochloroiodopyridine, ACMC-209jbq, CTK4I2634, 5-Bromo-2-chloro-4-iodopyridine,, ANW-29316, ZINC14007762, AKOS005073465, AB55676, AM90096, RP16449, AK-55132, KB-41983, FT-0681218, B-2374, I02-4026

Molecular Formula: C5H2BrClINMolecular Weight: 318.337550 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: TYBBZOZWSLKHMV-UHFFFAOYSA-N

• 7-Fluorobenzofurazan-4-sulfonic acid ammonium salt
IUPAC Name: azane; 4-fluoro-2,1,3-benzoxadiazole-7-sulfonic acid | CAS Registry Number: 84806-27-9
Synonyms: AFSBF, SBD-F, 4-Fluoro-7-sulfobenzofurazan, F4383_SIGMA, 46640_FLUKA, CID121825, Ammonium 4-fluoro-7-sulfobenzofurazan, Ammonium 7-fluorobenzofurazan-4-sulfonate, 4-Fluoro-7-sulfobenzofurazan ammonium salt, 7-Fluoro-2,1,3-benzoxadiazole-4-sulfonate, 7-fluorobenzo-2-oxa-1,3-diazole-4-sulfonate, 4-Benzofurazansulfonic acid, 7-fluoro-, ammonium salt, Ammonium-7-fluorobenzo-2-oxa-1,3-diazole-4-sulfonate, 7-Fluorobenz-2,1,3-oxadiazole-4-sulfonic acid ammonium salt

Molecular Formula: C6H6FN3O4SMolecular Weight: 235.192943 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JXLHNMVSKXFWAO-UHFFFAOYSA-N

• 1-Benzoxepin-5(2H)-one, 7-bromo-3,4-dihydro-
IUPAC Name: 7-bromo-3,4-dihydro-2H-1-benzoxepin-5-one | CAS Registry Number: 55580-08-0
Synonyms: FS002085, 7-Bromo-3,4-dihydro-1-benzoxepin-5(2H)-one

Molecular Formula: C10H9BrO2Molecular Weight: 241.081260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JMIWCASGALGDMJ-UHFFFAOYSA-N

• 4-Amino-6-Mercaptopyrazolo[3,4-D]Pyrimidine
IUPAC Name: 4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidine-6-thione | CAS Registry Number: 23771-52-0
Synonyms: NSC7790, 4-Aminopyrazolo(3,4-d)pyrimidine, EINECS 245-872-5, ZINC04522036, CID1268262, LT00080778, 4-Amino-6-mercaptopyrazolo(3,4-d)pyrimidine, 6H-Pyrazolo[3,4-d]pyrimidine-6-thione, 4-amino-1,5-dihydro-

Molecular Formula: C5H5N5SMolecular Weight: 167.191700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YJMNLDSYAAJOPX-UHFFFAOYSA-N

• 5-Bromo-1-pentene
IUPAC Name: 5-bromopent-1-ene | CAS Registry Number: 1119-51-3
Synonyms: 1-Bromo-4-pentene, 1-Pentene, 5-bromo-, 5-Bromopent-1-ene, 253901_ALDRICH, EINECS 214-281-4, InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H

Molecular Formula: C5H9BrMolecular Weight: 149.028960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LPNANKDXVBMDKE-UHFFFAOYSA-N

• 2,4-Dihydroxy-3-nitropyridine
IUPAC Name: 4-hydroxy-3-nitro-1H-pyridin-2-one | CAS Registry Number: 89282-12-2
Synonyms: 3-Nitropyridine-2,4-diol, 3-nitro-2,4-pyridinediol, 4,6-Dihydroxy-5-nitropyridine, 4-Hydroxy-3-nitro-2-pyridone, AE-842/32231011, PubChem5469, ACMC-209qzb, SureCN1191637, KSC495S9N, CTK3J5996, MolPort-000-139-945, ACN-S001261, ANW-39237, CL0010, SBB055676, ZINC12360011, 2-hydroxy-3-nitro-1H-pyridin-4-one, 4-Hydroxy-3-nitro-2(1H)-pyridinone, AKOS005257339, 3-nitro-2-oxidanyl-1H-pyridin-4-one

Molecular Formula: C5H4N2O4Molecular Weight: 156.096260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BKYGVGWYPFVKTK-UHFFFAOYSA-N

• 5-Bromo Azaindole
IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 183208-35-7
Synonyms: 5-Bromo-7-azaindole, 5-bromo-1H-pyrrolo[2,3-b]pyridine, RW2897, SBB054655, 3-Bromo-7H-pyrrolo[2,3-b]pyridine, 5-bromo-1H-pyrrolo[2 , 3-b]pyridine, 5-bromopyrrolo[2,3-b]pyridine, PubChem14698, 5-BROMO AZAINDOLE, ACMC-1C0UF, SureCN153413, SureCN755641, KSC174K5D, AC1Q258Q, Jsp003754, CTK0H4551, HIN1529, MolPort-001-794-121, ACN-S002666, ACN-S003136

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LPTVWZSQAIDCEB-UHFFFAOYSA-N

• 2-Chloro-3-(trifluoromethyl)benzaldehyde
IUPAC Name: 2-chloro-3-(trifluoromethyl)benzaldehyde | CAS Registry Number: 93118-03-7
Synonyms: 481912_ALDRICH, ZINC02569253, SBB003469, CID2736672, 2-Chloro-3-(trifluoromethyl)-benzaldehyde, TL800742096, D-2154

Molecular Formula: C8H4ClF3OMolecular Weight: 208.564970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KUNCMOAFNYLOSC-UHFFFAOYSA-N

• 3-Amino-2,4-Dichloropyridine
IUPAC Name: 2,4-dichloropyridin-3-amine | CAS Registry Number: 173772-63-9
Synonyms: AmbTiC67239, 2,4-dichloropyridin-3-amine, 2,4-Dichloro-3-pyridinamine, MolPort-000-002-898, ZINC21981795, CID9855562, C67239, I02-1261

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZSJYSZWQVCWDQO-UHFFFAOYSA-N

• 6-Phenylpyridine-2-carboxylic acid
IUPAC Name: 6-phenylpyridine-2-carboxylic acid | CAS Registry Number: 39774-28-2
Synonyms: 6-phenylpyridine-2-carboxylic Acid, 6-phenylpicolinic acid, 6-Phenylpyridine-2-carboxylicacid, 6-Phenyl-2-pyridinecarboxylic acid, SBB053039, PubChem16757, AC1MC7HM, ACMC-1AI4C, SureCN208097, KSC222C8R, Jsp006897, CTK1C2188, MolPort-000-140-686, BH391, ACT01522, 2-Pyridinecarboxylicacid, 6-phenyl-, ANW-50646, FC0405, AKOS005146142, AC-5441

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

InChIKey: CXOPUGLYEYDAMC-UHFFFAOYSA-N

• 3-Aminothiophene-2-carboxylic acid methyl ester
IUPAC Name: methyl 3-aminothiophene-2-carboxylate | CAS Registry Number: 22288-78-4
Synonyms: 232904_ALDRICH, Methyl 3-aminothiophene-2-carboxylate, EINECS 244-895-8, Methyl 3-amino-2-thiophenecarboxylate, ZINC00105231, Methyl-3-amino-2-thiophene-carboxylate, TL806379, LS-152978, ST5308413, 2-Thiophenecarboxylic acid, 3-amino-, methyl ester, InChI=1/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H

Molecular Formula: C6H7NO2SMolecular Weight: 157.190280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TWEQNZZOOFKOER-UHFFFAOYSA-N

• 3-Amino-6-Bromo-2,4-Dichloropyridine
IUPAC Name: 6-bromo-2,4-dichloropyridin-3-amine | CAS Registry Number: 237435-16-4
Synonyms: 3-Amino-6-bromo-2,4-dichloropyridine, 6-bromo-2,4-dichloropyridin-3-amine, 2,4-dichloro-3-amino-6-bromopyridine, PubChem5454, CTK4F2157, MolPort-003-984-231, ANW-72679, SBB070664, ZINC21981794, AKOS015835540, AB51382, AG-E-69687, 3-Pyridinamine,6-bromo-2,4-dichloro-, AK-30548, KB-44775, A4951, FT-0658764, 6-BROMO-2,4-DICHLORO-3-AMINOPYRIDINE, 6-BROMO-2,4-DICHLORO-3-PYRIDINAMINE, 6-BROMO-2,4-DICHLORO-3-PYRIDYLAMINE

Molecular Formula: C5H3BrCl2N2Molecular Weight: 241.900720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MNMVXSHYBWKOIG-UHFFFAOYSA-N

• 4,4-Difluorocyclohexanecarboxylic acid
IUPAC Name: 4,4-difluorocyclohexane-1-carboxylic acid | CAS Registry Number: 122665-97-8
Synonyms: 4,4-difluorocyclohexane-1-carboxylic Acid, 4,4-Difluorocyclohexylcarboxylic acid, 4,4-difluorocyclohexanoic acid, cyclohexanecarboxylic acid, 4,4-difluoro-, 4,4-Difluorocyclohexanecarboxylicacid, SBB053457, AG-D-49173, 4, 4 -Difluoro-cyclohexane carboxylic acid, AC1MCUUL, PubChem15915, ACMC-209aln, SureCN18199, KSC174K3T, 4,4-DifluorocyclohexanoicAcid, difluorocyclohexanecarboxylicacid, 684651_ALDRICH, Jsp001523, 4,4-Difluorocyclohexanoic acid;, CTK0H4539, MolPort-000-160-191

Molecular Formula: C7H10F2O2Molecular Weight: 164.149906 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HYIUDFLDFSIXTR-UHFFFAOYSA-N

• 5alpha-Androst-16-en-3-one
IUPAC Name: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 18339-16-7
Synonyms: androstenone, Androst-16-en-3-one, MLS000069748, A8008_SIGMA, 16-(5alpha)Androsten-3-one, 3-Keto-5alpha,16-androstene, CHEBI:37894, (5alpha)-androst-16-en-3-one, MolPort-003-940-301, LMST02020079, ZINC04352601, CID6852393, NCGC00167559-01, SMR000059223

Molecular Formula: C19H28OMolecular Weight: 272.425020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HFVMLYAGWXSTQI-QYXZOKGRSA-N

• 4-Mercapto-(1h)pyrazolo [3,4-D]pyrimidine
IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione | CAS Registry Number: 5334-23-6
Synonyms: Tisopurine, Thiopurinol, Tisopurina, Tisopurinum, Exuracid, Purine analog, Allopurinol, thio-, Exuracid (TN), MPP (pharmaceutical), Tisopurine (INN), Tisopurinum [INN-Latin], Tisopurina [INN-Spanish], MPP (VAN), 8-Aza-7-deaza-6-thiopurine, UNII-79F9I2R16M, RS 570/T, ZERO/004542, NSC1392, DO 970, AIDS045555

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PYAOPMWCFSVFOT-UHFFFAOYSA-N

• 4-Chlorothieno[2,3-d]pyrimidine
IUPAC Name: 4-chlorothieno[2,3-d]pyrimidine | CAS Registry Number: 14080-59-2
Synonyms: ZINC00160054, AS0072, CID736618, 7P-707

Molecular Formula: C6H3ClN2SMolecular Weight: 170.619420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NZCRUBBNZGVREM-UHFFFAOYSA-N

• 2-Iodobenzaldehyde
IUPAC Name: 2-iodobenzaldehyde | CAS Registry Number: 26260-02-6
Synonyms: 2-iodobenzaldehyde, Benzaldehyde, 2-iodo-, 550779_ALDRICH, SBB017119, ZINC02168366, InChI=1/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5

Molecular Formula: C7H5IOMolecular Weight: 232.018470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WWKKTHALZAYYAI-UHFFFAOYSA-N


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