AG003JAG

21211-22-3 | 3-Chlorobenzo[b]thiophene-2-carboxylic acid

AG003JAG

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CAS Number	21211-22-3
Catalog Number	AG003JAG(AGN-PC-0JOQOM)
Chemical Name	3-Chlorobenzo[b]thiophene-2-carboxylic acid
IUPAC Name	3-chloro-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key	HJTMIYKPPPYDRJ-UHFFFAOYSA-N
MDL Number	MFCD00014579
Molecular Formula	C9H5ClO2S
Molecular Weight	212.6528
NSC Number	206632
SMILES	O=C(C1=C(Cl)C2=CC=CC=C2S1)O
Synonyms	3-Chlorobenzo[b]thiophene-2-carboxylic acid, 21211-22-3, 3-Chloro-1-benzothiophene-2-carboxylic acid, 3-Chloro-benzo[b]thiophene-2-carboxylic acid, 3-Chloro-benzo[b]thiophene-2-carboxylicacid, 3-Chlorobenzo(b)thiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 3-chloro-, HJTMIYKPPPYDRJ-UHFFFAOYSA-N, MFCD00014579, 3-chlorobenzothiophene-2-carboxylic acid, EC-000.1743, SR-03000000694-1, 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLICACID, NSC206632, PubChem18541, 3-chloro-benzo[b]thiophene carboxylic acid, AC1L7BWA, ACMC-1COC0, CBMicro_009255, Cambridge id 5131128, SCHEMBL444722, AC1Q729C, ARONIS000439, cid_307964, CHEMBL1318391, BDBM67473, CTK1A2939, ZINC66959, DTXSID10308665, ALBB-000118, KS-00000WQ9, KS-00003U4V, SMSF0003588, ANW-24372, BBL014286, GEO-00659, SBB006950, STK061928, AKOS000267327, CCG-125311, FS-1392, MCULE-2104684798, NSC-206632, RP26702, RTR-009963, TRA0049398, VT20215, AJ-10210, BAS 01213364, SC-78306, ST095667, BIM-0008966.P001, AB0071708, DB-030919, TR-009963, 3-Chlorobenzo[b]-2-thiophenecarboxylic acid, 4CH-023850, BB 0218104, FT-0615461, ST24042088, Z2721, 3-chloro-2-benzo[b]thiophene carboxylic acid, 3-chlorobenzo [b]thiophene-2-carboxylic acid, 3-chloranyl-1-benzothiophene-2-carboxylic acid, 3-Chloro-1-benzothiophene-2-carboxylic acid #, 3-chloro-benzo[b]thio-phene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylicacid, 3-chloro-, W-6212, AH-357/03390039, 3-Chloro-benzo[b]thiophene-2-carboxylic acid, 97%, I14-5978, W-200215, Z56899077, 3 - Chloro - 1 - benzothiophene - 2 - carboxylic acid, C9H5ClO2S, CID307964, ACN-025252, CB12002, A1582, C2444, 3-Chlorobenzothiophene-2-carboxylic acid, 97% - 1G 1g,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.97g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.647g/mol
Monoisotopic Mass	211.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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