AG002ERT

19075-58-2 | Benzo[b]thiophene-2-carboxylic acid, 6-bromo-

AG002ERT

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CAS Number	19075-58-2
Catalog Number	AG002ERT(AGN-PC-00N3U7)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 6-bromo-
EC Number	606-218-8
IUPAC Name	6-bromo-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H5BrO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChI Key	CKBBSFOOIOHLPC-UHFFFAOYSA-N
MDL Number	MFCD07371540
Molecular Formula	C9H5BrO2S
Molecular Weight	257.1038
SMILES	BrC=1C=CC2=C(SC(=C2)C(=O)O)C1
Synonyms	19075-58-2, 6-Bromobenzo[b]thiophene-2-carboxylic acid, 6-bromo-1-benzothiophene-2-carboxylic acid, 6-Bromo-benzo[b]thiophene-2-carboxylic acid, BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-BROMO-, 6-Bromo-benzo[b]-thiophene-2-carboxylic acid, SCHEMBL498133, CTK0H3515, DTXSID00544015, CKBBSFOOIOHLPC-UHFFFAOYSA-N, ALBB-028255, ZINC8700423, ANW-55358, BBL030761, MFCD07371540, SBB101826, STL234252, 6-bromobenzothiophene2-carboxylic acid, AKOS005072811, AS06371, CM10506, GA-0925, HT21446, MCULE-7504572223, PB14483, RP14570, RTR-008845, KS-000025E6, 6-bromobenzothiophene -2-carboxylic acid, AC-27447, AJ-58381, EN000615, SC-90095, DB-065726, TR-008845, 4CH-023657, AM20030242, CS-0053885, FT-0681053, ST24045221, Z5480, 6-bromanyl-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylicacid, 6-bromo-, 6-BROMOBENZOTHIOPHENE-2-CARBOXYLIC ACID, Q-1459, 075B582, A813430, J-518419, I01-12987, 6-bromobenzo[b]thiophene-2-carboxylic acid, AldrichCPR, C9H5BrO2S, ACN-044899, M0270,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.919g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.101g/mol
Monoisotopic Mass	255.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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