AG003URW

6314-28-9 | Benzo[b]thiophene-2-carboxylic acid

AG003URW

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CAS Number	6314-28-9
Catalog Number	AG003URW(AGN-PC-0JM1J9)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid
EC Number	613-148-1
IUPAC Name	1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChI Key	DYSJMQABFPKAQM-UHFFFAOYSA-N
MDL Number	MFCD00051636
Molecular Formula	C9H6O2S
Molecular Weight	178.2077
SMILES	C(=O)(O)c1cc2c(s1)cccc2
UNII	HLR49221FQ
Synonyms	benzo(b)thiophene-2-carboxylic acid, BL 5583, BL-5583, thionaphthene-2-carboxylic acid, thionapthene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 6314-28-9, Thianaphthene-2-carboxylic acid, Benzo(b)thiophene-2-carboxylic acid, 1-Benzothiophene-2-carboxylic acid, Thionaphthene-2-carboxylic acid, tnca, Benzothiophene-2-carboxylic acid, 2-benzo[b]thiophenecarboxylic acid, UNII-HLR49221FQ, CHEMBL312607, HLR49221FQ, DYSJMQABFPKAQM-UHFFFAOYSA-N, MFCD00051636, Thionapthene-2-carboxylic acid, BL-5583, Thianaphthene-2-carboxylicacid, 2-Benzothiophenecarboxylic acid, NSC 40258, zlchem 823, ACMC-20airt, NSC 112990, 2-Carboxybenzothiophene, AC1Q1HKU, Maybridge1_002631, AC1L3V9H, AC1Q73VA, SCHEMBL93858, benzothiophene carboxylic acid, DivK1c_001383, benzo[b]thiophenecarboxylic acid, benzothiophen-2-carboxylic acid, benzothiophene 2-carboxylic acid, HMS548P13, KS-00000CCD, ZINC42511, DTXSID60212485, ZLD0284, Benzo[b]thiophene-2-carboxylicacid, NSC40258, ANW-75255, BDBM50149218, CB-544, GEO-02293, NSC-40258, NSC112990, SBB003763, STL353601, 1-Benzothiophene-2-carboxylic acid #, AKOS000266073, Thianaphthene-2-carboxylic acid, 98%, CS-W004876, FS-1519, LS40345, MCULE-6165149428, NSC-112990, RP03108, SDCCGMLS-0065962.P001, CDS1_000343, NCGC00339347-01, AC-22600, AJ-08990, AK-27833, BC226986, BR-27833, EN002200, FS000056, M021, SC-13722, ST019994, SY003106, AB0002497, AB1002246, DB-007270, ST2412648, TC-020465, TC-164000, TL8004387, FT-0085067, FT-0601179, EN300-13076, MFCD00051636 (98%), M-2653, AB01332017-02, 314B289, J-640122, J-800126, W-200470, W-204306, Z89265777, F2191-0022, 900791-89-1, C9H6O2S, 6-Methoxy-8-nitroquinoline, C9-H6-O2-S, BL 5583, CID95864, AR-1L6949, 5-bromo-1-benzothiophene-2-carboxylic acid, B2033, Benzothiophene-2-carboxylic acid, 98% - 1G 1g, C026163, 639-81-6,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.205g/mol
Monoisotopic Mass	178.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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