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Shanghai Shaoyuan Co. Ltd.

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Web: http://www.shao-yuan.com
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Profile: Shanghai Shaoyuan Co. Ltd. specializes in providing chemical reagents. Our carbonyl compounds include 4-bromothiophene-2-carboxaldehyde, 1H-benzimidazole-5-carbaldehyde, 2-bromo-5-fluorobenzaldehyde, 4,6-dichloropyrimidine-5-carbaldehyde and 5-methoxy-3-pyridinecarboxaldehyde. Our heterocyclic compounds are 2-amino-5-methylthiazole, 5-bromo-2-methylpyridine, 1-hydroxy benzotriazole 2-chloro-3-nitropyridine and 6-chloroindole.

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• Piperidine-4-carbonitrile
IUPAC Name: piperidine-4-carbonitrile | CAS Registry Number: 4395-98-6
Synonyms: 4-Cyanopiperidine

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FSDNTQSJGHSJBG-UHFFFAOYSA-N

• Pyridazine-4,5-Dicarboxylic Acid
IUPAC Name: pyridazine-4,5-dicarboxylic acid | CAS Registry Number: 59648-14-5
Synonyms: Pyridazine-4,5-dicarboxylic Acid, 4,5-Dicarboxypyridazine, AC1O4UYF, SureCN70537, Ambpe2013019, 4,5-Pyridazinedicarboxylicacid, pyridazine-4,5-carboxylic acid, CTK1G9547, MolPort-000-876-909, ANW-47150, SBB088134, AKOS000320055, AG-G-12684, RP02550, AK-59858, KB-60100, AB1000571, FT-0677435, W7246, A832398

Molecular Formula: C6H4N2O4Molecular Weight: 168.106960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YRTBTTMXMPXJBB-UHFFFAOYSA-N

• Quinoline-3-Carboxaldehyde
IUPAC Name: quinoline-3-carbaldehyde | CAS Registry Number: 13669-42-6
Synonyms: 3-Quinolinecarboxaldehyde, Quinoline-3-carbaldehyde, 177121_ALDRICH, ZINC02567918, CID83641, EINECS 237-147-7, ST5179407

Molecular Formula: C10H7NOMolecular Weight: 157.168680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RYGIHSLRMNXWCN-UHFFFAOYSA-N

• Quinoline-6-carboxylic acid
IUPAC Name: quinoline-6-carboxylic acid | CAS Registry Number: 10349-57-2
Synonyms: 6-Quinolinecarboxylic acid, ChemDiv3_014140, Oprea1_754929, Oprea1_814491, ALBB-006285, EINECS 233-761-4, SBB003821, SDCCGMLS-0065931.P001, IDI1_029938, BAS 01118294, AI3-24365, TL8000151, EU-0033254

Molecular Formula: C10H7NO2Molecular Weight: 173.168080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VXGYRCVTBHVXMZ-UHFFFAOYSA-N

• Scandium(III) Triflouromethanesulfonate
IUPAC Name: scandium(3+);trifluoromethanesulfonate | CAS Registry Number: 144026-79-9
Synonyms: Scandium(III) triflate, Scandium trifluoromethanesulfonate, Scandium(III) trifluoromethanesulfonate, Scandium triflate resin, PS-Sc(OTf)2, Trifluoromethanesulfonic acid scandium(III) salt, scandium(3+); trifluoromethanesulfonate, scandium(iii) trifluoromethanesulphonate, Scandium(III) bis(trifluoromethanesulfonate), polymer-bound, Trifluoromethanesulfonic acid scandium salt, trifluoromethanesulfonic acid scandium(3) salt, Scandium Triflate, AC1MC1FZ, Scandium (III) triflate, ACMC-1CEE6, SC(OTF)3, KSC174E3P, scandium(3+) ion tritriflate, SC(O3SCF3)3, SC(SO3CF3)3

Molecular Formula: C3F9O9S3ScMolecular Weight: 492.163241 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 18

InChIKey: HZXJVDYQRYYYOR-UHFFFAOYSA-K

• Tert-Butyl Methyl Pyrrolidine-1,3-Dicarboxylate
IUPAC Name: 1-O-tert-butyl 3-O-methyl pyrrolidine-1,3-dicarboxylate | CAS Registry Number: 122684-33-7
Synonyms: Ambp190180, Methyl 1-BOC-3-pyrrolidinecarboxylate, CID4572775, TL8000605, M30410, Tert-butyl Methyl Pyrrolidine-1,3-dicarboxylate, I11-0021

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LIWFYAVKYUQMRE-UHFFFAOYSA-N

• tetrahydro-4H-pyran-4-one
IUPAC Name: oxan-4-ol | CAS Registry Number: 2081-44-9
Synonyms: Tetrahydro-4-pyranol, Tetrahydro-4H-pyran-4-ol, 4-Hydroxytetrahydropyran, 2H-Pyran-4-ol, tetrahydro-, 198234_ALDRICH, EINECS 218-210-8, ZINC00391950, CC 29915, TL8001723

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LMYJGUNNJIDROI-UHFFFAOYSA-N

• Triethyl orthobenzoate
IUPAC Name: triethoxymethylbenzene | CAS Registry Number: 1663-61-2
Synonyms: Ethyl orthobenzoate, Triethylorthobenzoate, Benzene, (triethoxymethyl)-, (Triethoxymethyl)benzene, 75570_ALDRICH, Orthobenzoic acid, triethyl ester, 75570_FLUKA, MolPort-001-784-989, ZINC00391829, CID74268, EINECS 216-771-3, AI3-11563, TL8001277

Molecular Formula: C13H20O3Molecular Weight: 224.296100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BQFPCTXLBRVFJL-UHFFFAOYSA-N

• 5-Hydroxynicotinic acid
IUPAC Name: 5-hydroxypyridine-3-carboxylic acid | CAS Registry Number: 27828-71-3
Synonyms: 5-Hydroxy-nicotinic acid, Oprea1_058796, Oprea1_193943, TPC-PY046, NICOTINIC ACID, 5-HYDROXY-, STOCK2S-15963, 5-Hydroxy-3-pyridinecarboxylic acid, BRN 0115847, NSC606891, SBB010273, 3-Pyridinecarboxylic acid, 5-hydroxy-, BAS 01947666, LS-96574, 3-Pyridinecarboxylic acid, 5-hydroxy- (9CI), 5-22-05-00113 (Beilstein Handbook Reference), AE-848/00984004

Molecular Formula: C6H5NO3Molecular Weight: 139.108800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ATTDCVLRGFEHEO-UHFFFAOYSA-N

• 2-Fluoro-6-nitrobenzoic acid
IUPAC Name: 2-fluoro-6-nitrobenzoic acid | CAS Registry Number: 385-02-4
Synonyms: 2-Fluoro-6-nitrobenzoicacid, 2-Carboxy-3-fluoronitrobenzene, 6-fluoro-2-nitrobenzoic acid, SBB063404, PubChem1308, AC1LCO9A, ACMC-209j0j, SureCN355378, KSC222C6B, 2-Fluoro-6-nitro-benzoic acid, Jsp006739, Benzoicacid, 2-fluoro-6-nitro-, CTK1C2160, MolPort-001-776-050, Benzoic acid, 2-fluoro-6-nitro-, ACN-S004068, ACT00237, AC-880, ANW-28913, AKOS005063885

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

InChIKey: MPDZCNPDHUUPRL-UHFFFAOYSA-N

• 4H-Azepin-4-One,Hexahydro-1-Methyl Hhydrochloride
IUPAC Name: 1-methylazepan-4-one;hydrochloride | CAS Registry Number: 19869-42-2
Synonyms: 1-methylazepan-4-one Hydrochloride, 1-Methyl-azepan-4-one HCl, 1-methylhexahydroazepin-4-one hydrochloride, 1-Methylhexahydroazepin-4-one HCl, hexahydro-1-methyl-4h-azepin-4-one hydrochloride, SBB056265, 1-methylazaperhydroepin-4-one, chloride, PubChem2443, SureCN2307207, CTK0H4689, 1-METHYLAZEPAN-4-ONE HCL, MolPort-005-941-565, 1-methyl-4-azepanone hydrochloride, ACN-S003060, 1-Methyl-azepan-4-one Hydrochloride, ANW-52103, AKOS015845722, AB42491, AC-2729, AG-B-83115

Molecular Formula: C7H14ClNOMolecular Weight: 163.645160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BHSJZGRGJYULPA-UHFFFAOYSA-N

• 5-Bromo-1-indanone
IUPAC Name: 5-bromo-2,3-dihydroinden-1-one | CAS Registry Number: 34598-49-7
Synonyms: 1-Indanone, 5-bromo-, 433098_ALDRICH, ZINC00156323, 1H-Inden-1-one, 5-bromo-2,3-dihydro-, 5-Bromo-2,3-dihydro-1H-inden-1-one, ST5307005, TL8002578, InChI=1/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H

Molecular Formula: C9H7BrOMolecular Weight: 211.055280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KSONICAHAPRCMV-UHFFFAOYSA-N

• 2-Chloro-5-Nitro Benzaldehyde
IUPAC Name: 2-chloro-5-nitrobenzaldehyde | CAS Registry Number: 6361-21-3
Synonyms: 2-Chloro-5-nitrobenzaldehyde, 3-Nitro-6-chlorobenzaldehyde, WLN: WNR DG CVH, Benzaldehyde, 2-chloro-5-nitro-, 139033_ALDRICH, EINECS 228-830-0, AIDS020861, NSC 129753, AIDS-020861, BRN 0743764, NSC129753, ZINC01870621, LS-24971, ST5213450, 4-07-00-00609 (Beilstein Handbook Reference), InChI=1/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4

Molecular Formula: C7H4ClNO3Molecular Weight: 185.564560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N

• 3-Carboxyphenylboronic Acid
IUPAC Name: 3-boronobenzoic acid | CAS Registry Number: 25487-66-5
Synonyms: 3-Boronobenzoic acid, 3-Carboxyphenylboronic acid, 456764_ALDRICH, ALBB-006101, FS000841, ST5405809, TL8002069

Molecular Formula: C7H7BO4Molecular Weight: 165.939080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DBVFWZMQJQMJCB-UHFFFAOYSA-N

• 4-Methoxycarbonylphenylboronic Acid
IUPAC Name: (4-methoxycarbonylphenyl)boronic acid | CAS Registry Number: 99768-12-4
Synonyms: Methyl 4-boronobenzoate, 594539_ALDRICH, (4-Methoxycarbonylphenyl)boronic acid, 4-Methoxycarbonylphenylboronic acid, ALBB-006125, 4-(Methoxycarbonyl)phenylboronic acid, FS000893, ST5405973, TL8006078

Molecular Formula: C8H9BO4Molecular Weight: 179.965660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PQCXFUXRTRESBD-UHFFFAOYSA-N

• 4-methoxypiperidine
IUPAC Name: 4-methoxypiperidine | CAS Registry Number: 4045-24-3
Synonyms: 4-Methoxypiperidine, EINECS 223-742-9, ALBB-004178, CID77666, ZERO/009899

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZEYSHALLPAKUHG-UHFFFAOYSA-N

• 2-acetyl-5-methylpyridine
IUPAC Name: 1-(5-methylpyridin-2-yl)ethanone | CAS Registry Number: 5308-63-4
Synonyms: 1-(5-METHYLPYRIDIN-2-YL)ETHANONE, 2-Acetyl-5-methylpyridine, AG-F-81705, ETHANONE, 1-(5-METHYL-2-PYRIDINYL)-, PubChem16371, AGN-PC-00KQJC, SureCN827893, Ambcb4032792, CTK4J7041, MolPort-016-631-271, 1-(5-Methylpyridin-2-yl)-ethanone, AB1019, ZINC35653780, AKOS006295634, Ethanone,1-(5-methyl-2-pyridinyl)-, AB25779, QC-5280, AK-82415, KB-64023, 1-(5-METHYL-2-PYRIDINYL)-ETHANONE

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SBFBKLLKNHMBOH-UHFFFAOYSA-N

• 4-Chloro-Pyridine-2-Carboxylic Acid
IUPAC Name: 2-hydroxy-N-(2-phenylethylideneamino)benzamide | CAS Registry Number: 5470-22-4

Molecular Formula: C15H14N2O2Molecular Weight: 254.283860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FZLZMAMMBJYULF-LFIBNONCSA-N

• 1-Pyridin-4-yl-methylpiperidin-4-one
IUPAC Name: 1-(pyridin-4-ylmethyl)piperidin-4-one | CAS Registry Number: 126832-82-4
Synonyms: 1-PYRIDIN-4-YL-METHYLPIPERIDIN-4-ONE, 1-(pyridin-4-ylmethyl)piperidin-4-one, 1-Pyridin-4-ylmethylpiperidin-4-one, 1-Pyridin-4-ylmethyl-piperidin-4-one, 4-Piperidinone,1-(4-pyridinylmethyl)-, ACMC-20dksb, AC1Q6ERX, SureCN4884441, CTK4B5381, MolPort-002-344-237, 1-(4-Pyridylmethyl)-4-piperidone;, 1-(4-pyridylmethyl)piperidin-4-one, SBB091152, ZINC55168304, AKOS000192611, AC-7179, AG-D-56196, MCULE-8191314082, RP25003, AK-17123

Molecular Formula: C11H14N2OMolecular Weight: 190.241660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HGXOGFPPULJEEV-UHFFFAOYSA-N

• 7-Chlorophthalide
IUPAC Name: 7-chloro-3H-2-benzofuran-1-one | CAS Registry Number: 70097-45-9
Synonyms: NSC171642, CID299174

Molecular Formula: C8H5ClO2Molecular Weight: 168.577100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LLKCTHJTJUDDMG-UHFFFAOYSA-N

• 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid
IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid | CAS Registry Number: 136818-50-3
Synonyms: 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic Acid, 1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, AG-D-75011, 2-Carboxy-1H-pyrrolo[2,3-b]pyridine, PubChem20647, ACMC-20a0xb, SureCN296469, AC1OG84S, AC1Q73TP, SureCN1759020, KSC169G6R, CTK0G9368, MolPort-003-983-194, KUC107422N, ANW-52125, WT1452, 7-AZAINDOLE-2-CARBOXYLIC ACID, AKOS000149948, AC-4416, HP13116

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DXMRZBGFYBCTLR-UHFFFAOYSA-N

• 4-Piperidineaceticacidethylester
IUPAC Name: ethyl 2-piperidin-4-ylacetate | CAS Registry Number: 59184-90-6
Synonyms: Ethyl 4-piperidinylacetate, Ethyl 2-(4-piperidyl)acetate, CID2760465, EN300-30459

Molecular Formula: C9H17NO2Molecular Weight: 171.236780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IHSUFLCKRIHFGY-UHFFFAOYSA-N

• 4-Amino-N-Cyclopropylbenzenesulfonamide
IUPAC Name: 4-amino-N-cyclopropylbenzenesulfonamide | CAS Registry Number: 177785-41-0
Synonyms: N-Cyclopropyl 4-Aminophenylsulfonamide, 4-amino-N-cyclopropylbenzenesulfonamide, PubChem19504, AC1Q51XT, SureCN4071039, Jsp003654, CTK4D6599, MolPort-002-471-262, ZINC00875177, AKOS000200854, N-Cyclopropyl-4-aminophenylsulfonamide, AC-2576, AG-E-28029, MCULE-5748203258, AK-78731, Benzenesulfonamide,4-amino-N-cyclopropyl-, 4-amino-n-cyclopropylbenzene-1-sulfonamide, KB-189343, EN300-24500, T5894398

Molecular Formula: C9H12N2O2SMolecular Weight: 212.268780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KOLXPLAKQKRJLH-UHFFFAOYSA-N

• 4-Pyridylacetic acid hydrochloride
IUPAC Name: 2-pyridin-4-ylacetic acid hydrochloride | CAS Registry Number: 6622-91-9
Synonyms: P65851_ALDRICH, 82990_FLUKA, 4-Carboxymethylpyridinium chloride, 4-Pyridineacetic acid hydrochloride, EINECS 229-576-3, SBB003811, TL806132

Molecular Formula: C7H8ClNO2Molecular Weight: 173.596920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WKJRYVOTVRPAFN-UHFFFAOYSA-N

• 6-Bromoindazole
IUPAC Name: 6-bromo-1H-indazole | CAS Registry Number: 79762-54-2
Synonyms: 6-bromo-1H-indazole, AG-H-19731, 6- Bromoindazole, PubChem7831, zlchem 1237, SureCN5902, 6-bromanyl-1H-indazole, 6-Bromo-1H-indazole,, 6-Bromo-1H-indazole;, 1H-Indazole, 6-bromo-, ACMC-209pi5, BROMOINDAZOLE(6-), AGN-PC-01MHI9, INDAZOLE, 6-BROMO-, KSC376S4P, 1H-INDAZOLE,6-BROMO-, AC1Q251Y, CHEMBL247365, CTK2H6947, ZLE0012

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

InChIKey: WMKDUJVLNZANRN-UHFFFAOYSA-N

• 4-Bromo-N-methylbenzylamine
IUPAC Name: 1-(4-bromophenyl)-N-methylmethanamine | CAS Registry Number: 699-03-6
Synonyms: Benzylamine der, (4-Bromobenzyl)methylamine, 631140_ALDRICH, AIDS107181, Benzenemethanamine, 4-bromo-N-methyl-, AIDS-107181, 874-73-7 (HYDROCHLORIDE), T5211102

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: URFJXIULELMVHV-UHFFFAOYSA-N

• 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, ethyl ester
IUPAC Name: ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate | CAS Registry Number: 28485-17-8
Synonyms: 5-Carbethoxyuracil, Isoorotic acid ethyl ester, C7000_SIGMA, NSC513173, AIDS081811, AIDS-081811, EINECS 249-053-3, CID101411, ZINC00156809, Ethyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate

Molecular Formula: C7H8N2O4Molecular Weight: 184.149420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MKNYHTGOVKPZMU-UHFFFAOYSA-N

• 3-(trifluoromethyl)pyridine-2-Carboxylic Acid
IUPAC Name: 3-(trifluoromethyl)pyridine-2-carboxylic acid | CAS Registry Number: 87407-12-3
Synonyms: 3-(Trifluoromethyl)pyridine-2-carboxylic Acid, 3-(Trifluoromethyl)picolinic acid, 3-(trifluoromethyl)-2-pyridinecarboxylic acid, SBB053032, 3-(TRIFLUOROMETHYL)-2-PICOLINIC ACID, 87407-12-3 3-(Trifluoromethyl)pyridine-2-carboxylic acid, ACMC-209qkb, AGN-PC-00LLTU, SureCN286833, KSC447O0J, 3-Trifluoromethylpicolinic acid, CTK3E7704, MolPort-001-778-072, ABBYPHARMA AP-18-5219, ANW-38697, HT1077, WT1935, 3-(Trifluoromethyl)-2-picolinicacid;, AKOS005064018, AB41844

Molecular Formula: C7H4F3NO2Molecular Weight: 191.107370 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DMWLBOPLZYJGPT-UHFFFAOYSA-N

• 1,5-Naphthyridine-3-Carboxylic Acid, 4-Hydroxy-, Ethyl Ester
IUPAC Name: ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate | CAS Registry Number: 13801-51-9
Synonyms: Ethyl 4-Hydroxy-[1,5]naphthyridine-3-carboxylate, Ethyl 4-hydroxy-1,5-naphthyridine-3-carboxylate, AC1MC7U0, SureCN1665282, SureCN1686993, Ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate, Jsp002285, CTK4C1060, MolPort-008-425-960, AKOS015856178, AC-2978, AG-D-77039, AK-39725, AB1001635, KB-201854, FT-0687567, I14-17572, 1,5-Naphthyridine-3-carboxylicacid, 4-hydroxy-, ethyl ester, Ethyl 4-hydroxy-[1,5]naphthyridine-3-carboxylate;4-Hydroxy-[1,5]naphthyridine-3-carboxylic acid ethyl ester;

Molecular Formula: C11H10N2O3Molecular Weight: 218.208700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GVNBUTFPNJRLQV-UHFFFAOYSA-N

• 5-Chloro-4(3H)-Quinazolinone
IUPAC Name: 5-chloro-1H-quinazolin-4-one | CAS Registry Number: 60233-66-1
Synonyms: 5-Chloro-4-quinazolone, 5-chloroquinazolin-4(1H)-one, NSC601362, 5-Chloro-3,4-dihydro-4-oxoquinazoline, 5-Chloro-3H-quinazolin-4-one, CHEMBL1949841, 5-chloro-3-hydroquinazolin-4-one, AG-G-15513, AC1Q3KGC, 5-Chloro-4-quinazolinol, SureCN4708863, SureCN4708864, SureCN8810067, 5-chloro-1H-quinazolin-4-one, ACMC-1B728, 5-Chloro-4(3H)-quinazolinone, 5-Chloroquinazolin-4(3H)-one, CTK5B1175, 4(3H)-Quinazolinone,5-chloro-, MolPort-001-757-474

Molecular Formula: C8H5ClN2OMolecular Weight: 180.591100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZDPCOXNOQQRKCN-UHFFFAOYSA-N

• 2-Methylbenzamidine Hydrochloride
IUPAC Name: 2-methylbenzenecarboximidamide;hydrochloride | CAS Registry Number: 18636-98-1
Synonyms: 2-methylbenzene-1-carboximidamide hydrochloride, 2-methylbenzimidamide hydrochloride, SureCN11693952, 2-METHYLBENZAMIDINE HCL, 2-Methyl-Benzamidine Hydrochloride, FC0694, WTI-10773, AKOS005257403, AB18273, AC-4441, AG-E-35569, MCULE-6828587821, KB-25072, 2-methylbenzenecarboximidamide hydrochloride, FT-0691795, A813027, I01-7694, Benzenecarboximidamide,2-methyl-, monohydrochloride (9CI);o-Toluamidine, monohydrochloride (8CI);2-Methylbenzamidine hydrochloride;

Molecular Formula: C8H11ClN2Molecular Weight: 170.639340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: USHZYUPZIKQYMI-UHFFFAOYSA-N

• 3-Bromoacetophenone
IUPAC Name: 1-(3-bromophenyl)ethanone | CAS Registry Number: 2142-63-4
Synonyms: m-Bromoacetophenone, 3'-Bromoacetophenone, Acetophenone, 3'-bromo-, 3-BROMOACETOPHENONE, Ethanone, 1-(3-bromophenyl)-, 1-Acetyl-3-bromobenzene, 1-(3-Bromophenyl)ethanone, B56358_ALDRICH, Acetophenone, 3'-bromo- (8CI), NSC46620, EINECS 218-396-0, NSC 46620, ZINC00167233, ST5213421

Molecular Formula: C8H7BrOMolecular Weight: 199.044580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JYAQYXOVOHJRCS-UHFFFAOYSA-N

• 2-Methylpyrazine- 5-Carboxylic Acid
IUPAC Name: 5-methylpyrazine-2-carboxylic acid | CAS Registry Number: 5521-55-1
Synonyms: 5-Methyl-2-pyrazinecarboxylic acid, 2-Methylpyrazine-5-carboxylic acid, 347647_ALDRICH, AIDS044806, Pyrazinecarboxylic acid, 5-methyl-, AIDS-044806, CID122831, SBB006622, NCGC00167497-01, TL806280

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RBYJWCRKFLGNDB-UHFFFAOYSA-N

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

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

InChIKey: CKMXAIVXVKGGFM-UHFFFAOYSA-N

• 6-Trifluoromethylnicotinic acid
IUPAC Name: 6-(trifluoromethyl)pyridine-3-carboxylic acid | CAS Registry Number: 231291-22-8
Synonyms: 6-(Trifluoromethyl)nicotinic acid, 545724_ALDRICH, 6-Trifluoromethyl-nicotinic acid, NSC727682, FS001049, ST5406812, TL8001927, 3S102400, 3S210888

Molecular Formula: C7H4F3NO2Molecular Weight: 191.107370 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JNYLMODTPLSLIF-UHFFFAOYSA-N

• 3-Amino-1,2,4-Triazole-5-Carboxylic Acid Hemihydrate
IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid | CAS Registry Number: 3641-13-2
Synonyms: NCIOpen2_003620, BB_SC-0053, BB_SC-4176, ALBB-006028, EINECS 222-868-1, NSC164710, NSC513580, NSC 164710, NSC 513580, s-Triazole-3-carboxylic acid, 5-amino-, 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, BAS 01507602, ST028264, 3-Amino-1,2,4-triazole-5-carboxylic acid, 3-Amino-1H-1,2,4-triazole-5-carboxylic acid, 5-Amino-1H-1,2,4-triazole-3-carboxylic acid, 5-Amino-2H-[1,2,4]triazole-3-carboxylic acid, s-Triazole-3-carboxylic acid, 5-amino- (VAN) (8CI), 10054-88-3, 108284-49-7

Molecular Formula: C3H4N4O2Molecular Weight: 128.089460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MVRGLMCHDCMPKD-UHFFFAOYSA-N

• 4-Chloro-6-methoxyquinoline
IUPAC Name: 4-chloro-6-methoxyquinoline | CAS Registry Number: 4295-04-9
Synonyms: NSC21207, QU064, CID228348, ST5443358, 6658-72-6

Molecular Formula: C10H8ClNOMolecular Weight: 193.629620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BEOVBLPXVFICSP-UHFFFAOYSA-N

• 5-Nitro-2-pyridinecarboxylic acid
IUPAC Name: 5-nitropyridine-2-carboxylic acid | CAS Registry Number: 30651-24-2
Synonyms: 5-nitropyridine-2-carboxylic acid, 5-Nitropicolinic acid, 5-Nitro-2-picolinic Acid, Picolinic acid, 5-nitro-, 3-Nitro-6-pyridine carboxylic acid, 2-Carboxy-5-nitropyridine, 5-Nitropyridine-2-carboxylicacid, 2-Pyridinecarboxylic acid, 5-nitro, 2-Pyridinecarboxylic acid, 5-nitro-, SBB052886, AC1LAUCQ, PubChem15168, ACMC-209hhk, SureCN1403645, KSC222C9D, Jsp005774, CHEMBL2022008, CTK1C2191, MolPort-000-140-713, 3-Nitro-6-pyridinecarboxylic acid

Molecular Formula: C6H4N2O4Molecular Weight: 168.106960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QKYRCTVBMNXTBT-UHFFFAOYSA-N

• 4-Bromopyridine-2-carboxylic acid
IUPAC Name: 4-bromopyridine-2-carboxylate | CAS Registry Number: 30766-03-1
Synonyms: ZINC00151256, CID4251966

Molecular Formula: C6H3BrNO2-Molecular Weight: 200.997520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RPHHYRNGCJYQSP-UHFFFAOYSA-M

• 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
IUPAC Name: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine | CAS Registry Number: 486460-21-3
Synonyms: 3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE, 1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, 3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]piperazine, 3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine, 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine, 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazinehydrochloride, SureCN212149, AGN-PC-0CZ0E6, TRI035, ACN-P001047, ANW-30684, BBL011819, PC1232, SBB091386, STL163404, AKOS005063762, AG-F-64543, MCULE-6021337861, PB17546, RP03831

Molecular Formula: C6H7F3N4Molecular Weight: 192.141790 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: FMTDZGCPYKWMPT-UHFFFAOYSA-N

• 3-Bromo-N-methylbenzylamine
IUPAC Name: 1-(3-bromophenyl)-N-methylmethanamine | CAS Registry Number: 67344-77-8
Synonyms: Benzylamine der, m-Bromo-N-methylbenzylamine, 631159_ALDRICH, AIDS011089, Benzenemethanamine, 3-bromo-N-methyl-, AIDS-011089, (3-Bromophenyl)-N-methylmethanamine, BBV-009437, 90389-51-8 (HYDROCHLORIDE)

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QCEANFBGRBLXHN-UHFFFAOYSA-N

• (1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine
IUPAC Name: methyl-[(1R,2R)-2-(methylazaniumyl)cyclohexyl]azanium | CAS Registry Number: 68737-65-5
Synonyms: ZINC02567296, CID11863610

Molecular Formula: C8H20N2+2Molecular Weight: 144.257800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: JRHPOFJADXHYBR-HTQZYQBOSA-P

• 3-Morpholinone, 4-(4-aminophenyl)-
IUPAC Name: 4-(4-aminophenyl)morpholin-3-one | CAS Registry Number: 438056-69-0
Synonyms: 4-(4-aminophenyl)morpholin-3-one, 4-(4-aminophenyl)-3-Morpholinone, AG-F-54569, aminophenylmorpholinone, PubChem19666, SureCN76558, KSC496K8N, MOR001, CTK3J6586, AMX10109, ANW-30028, CL3546, QC-592, RW2423, WTI-11870, ZINC20398316, AKOS006284751, AC-2721, BCP9000132, HE-0208

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MHCRLDZZHOVFEE-UHFFFAOYSA-N

• 4-Morpholinobenzoic Acid
IUPAC Name: 4-morpholin-4-ylbenzoic acid | CAS Registry Number: 7470-38-4
Synonyms: 4-Morpholin-4-yl-benzoic acid, Oprea1_138719, Oprea1_813391, 4-morpholin-4-ylbenzoic acid, 4-(morpholin-4-yl)benzoic acid, NSC402784, ALBB-005597, CID345278, STK500992, BBV-156240, SDCCGMLS-0065993.P001, BAS 01317811, M67186

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XVAJKPNTGSKZSQ-UHFFFAOYSA-N

• 2-Pyrazinecarbonitrile, 5-Amino-
IUPAC Name: 5-aminopyrazine-2-carbonitrile | CAS Registry Number: 113305-94-5
Synonyms: 2-Amino-5-cyanopyrazine, 5-aminopyrazine-2-carbonitrile, 5-Amino-2-cyanopyrazine, PubChem16678, ACMC-20a0pq, AGN-PC-00ODJH, SureCN305290, Pyrazinecarbonitrile, 5-amino-, 5-CYANOPYRAZIN-2-AMINE, Jsp001033, CTK0H3911, MolPort-003-823-909, ACT01755, ANW-51852, QC-298, RW2367, SBB055885, ZINC08698476, 5-AMINO-2-PYRAZINECARBONITRILE, AKOS005146150

Molecular Formula: C5H4N4Molecular Weight: 120.112060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VYANAPRTDDQFJY-UHFFFAOYSA-N

• 6-Benzyl-6,7-Dihydro-5H-Pyrrolo[3,4-B]pyridine
IUPAC Name: 6-benzyl-5,7-dihydropyrrolo[3,4-b]pyridine | CAS Registry Number: 109966-30-5
Synonyms: 6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine, AG-D-27072, 5H-Pyrrolo[3,4-b]pyridine,6,7-dihydro-6-(phenylmethyl)-, PubChem23132, SureCN3715438, JSPY-st000142, ACMC-209y02, AC1LU353, CTK4A6724, MolPort-000-001-717, ANW-48336, RW3908, SC1671, AKOS015901419, QC-3307, RP26571, AK-32835, BR-32835, KB-44682, X8930

Molecular Formula: C14H14N2Molecular Weight: 210.274360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DNVMWHGYSCHZGW-UHFFFAOYSA-N

• 1-Bromo-3-Chloro-5-Nitrobenzene
IUPAC Name: 1-bromo-3-chloro-5-nitrobenzene | CAS Registry Number: 219817-43-3
Synonyms: 1-Bromo-3-chloro-5-nitrobenzene, 3-Bromo-5-chloronitrobenzene, PubChem19928, ACMC-1CIRN, AGN-PC-01MGMS, SureCN2013681, CTK4E8115, 3-bromo-5-chloro-1-nitrobenzene, MolPort-003-823-944, ANW-24650, Benzene,1-bromo-3-chloro-5-nitro-, SBB098647, ZINC08698502, AKOS015835360, AC-7218, AG-E-60366, AS03663, RP28239, AK-22019, BR-22019

Molecular Formula: C6H3BrClNO2Molecular Weight: 236.450520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CVXDZAQINLBEIC-UHFFFAOYSA-N

• 5-Bromopyridine-2-Carbaldehyde (CAS: 31181-07-2)
• 3-Thiophenecarboxaldehyde
IUPAC Name: thiophene-3-carbaldehyde | CAS Registry Number: 498-62-4
Synonyms: 3-Formylthiophene, Thiophene-3-aldehyde, Thiophene-3-carbaldehyde, 3-Thiophenecarbaldehyde, Thiophene-3-carboxaldehyde, 3-Thienophenecarboxyaldehyde, 196282_ALDRICH, 88983_FLUKA, EINECS 207-865-5, NSC172858, SBB004320, ZINC00158756, NSC 172858, TL8003312, InChI=1/C5H4OS/c6-3-5-1-2-7-4-5/h1-4

Molecular Formula: C5H4OSMolecular Weight: 112.149660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RBIGKSZIQCTIJF-UHFFFAOYSA-N

• 5-Phenyl-2-Thiophenecarboxylic Acid
IUPAC Name: 5-phenylthiophene-2-carboxylate | CAS Registry Number: 19163-24-7
Synonyms: ZINC00158686, CID6932041

Molecular Formula: C11H7O2S-Molecular Weight: 203.237080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QGMFBCDNJUZQBZ-UHFFFAOYSA-M


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