AG00C8DN

360576-01-8 | 6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER

AG00C8DN

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CAS Number	360576-01-8
Catalog Number	AG00C8DN(AGN-PC-03PEF7)
Chemical Name	6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER
IUPAC Name	methyl 6-bromo-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C10H7BrO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChI Key	SFDVDNLBYGHFNF-UHFFFAOYSA-N
MDL Number	MFCD07371541
Molecular Formula	C10H7BrO2S
Molecular Weight	271.1304
SMILES	COC(=O)C1=CC2=C(S1)C=C(Br)C=C2
Synonyms	Methyl 6-bromobenzo[b]thiophene-2-carboxylate, 360576-01-8, Methyl 6-bromo-1-benzothiophene-2-carboxylate, 6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, 6-Bromo-2-(methoxycarbonyl)benzo[b]thiophene, SCHEMBL497904, CTK6I9614, KS-00000JWY, DTXSID50625904, SFDVDNLBYGHFNF-UHFFFAOYSA-N, Benzo[b]thiophene-2-carboxylic acid, 6-bromo-, methyl ester, 4533AB, ANW-55047, MFCD07371541, ZINC12336770, AKOS005073408, AS06372, CM10507, LA-0701, MCULE-4979181236, RP15150, RTR-014835, AJ-61081, AK-77049, BP-20473, SC-50240, methyl 6-bromobenzothiophene-2-carboxylate, DB-069302, 4CH-021332, CS-0041254, FT-0663648, Methyl6-bromo-1-benzothiophene-2-carboxylate, methyl6-bromobenzo[b]thiophene-2-carboxylate, ST24048036, K-8092, 6-bromobenzothiophene-2-carboxylic acid methyl ester, J-522538, I01-12988, 6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER, 6-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, AldrichCPR, C10H7BrO2S, 6-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLICACIDMETHYLESTER,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.128g/mol
Monoisotopic Mass	269.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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