AG0039F1

7312-10-9 | 5-Bromo-1-Benzothiophene-2-Carboxylic Acid

AG0039F1

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CAS Number	7312-10-9
Catalog Number	AG0039F1(AGN-PC-0JVP0J)
Chemical Name	5-Bromo-1-Benzothiophene-2-Carboxylic Acid
IUPAC Name	5-bromo-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H5BrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key	ONNFNEFYXIPHCA-UHFFFAOYSA-N
MDL Number	MFCD01929338
Molecular Formula	C9H5BrO2S
Molecular Weight	257.1038
SMILES	BrC=1C=CC2=C(C=C(S2)C(=O)O)C1
Synonyms	5-bromo-1-benzothiophene-2-carboxylic acid, 7312-10-9, 5-bromobenzo[b]thiophene-2-carboxylic acid, 5-Bromo-benzo[b]thiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, AC1LEKZR, AC1Q26SA, AN-278/13643032, SCHEMBL700588, CTK2I0529, DTXSID20353282, ONNFNEFYXIPHCA-UHFFFAOYSA-N, ZINC168850, ALBB-028243, FD7313, MFCD01929338, SBB053260, STL474501, AKOS005070291, AS06404, CM10713, MCULE-7613197718, RP06266, 5-bromobenzothiophene-2-carboxylic acid, KS-00001W04, AJ-16997, AK123982, BP-13232, SC-68638, DB-004847, TR-023788, CS-0033871, FT-0680322, ST24044540, ST50949632, Y9936, Benzo[b]thiophene-2-carboxylicacid, 5-bromo-, C-4197, Sun Oct 09 00:00:00 CST 7312, 3T-1185, 5-BROMO-1-benzo[b]thiophene-2-CARBOXYLIC ACID, J-516786, I01-12962, 5-bromo-1-benzothiophene-2-carboxylic acid, AldrichCPR, Z1741972947, C9H5BrO2S, AR-1G7346, CID737737, 5-BROMO-2-BENZOTHIAZOLECARBOXYLIC ACID, 7394-10-7,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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