AG005FXD

7312-11-0 | methyl 5-bromo-1-benzothiophene-2-carboxylate

AG005FXD

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CAS Number	7312-11-0
Catalog Number	AG005FXD(AGN-PC-0KLR3P)
Chemical Name	methyl 5-bromo-1-benzothiophene-2-carboxylate
IUPAC Name	methyl 5-bromo-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C10H7BrO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
InChI Key	XDYVZHUZZZKQOS-UHFFFAOYSA-N
MDL Number	MFCD05662034
Molecular Formula	C10H7BrO2S
Molecular Weight	271.1304
SMILES	COC(=O)c1cc2c(s1)ccc(c2)Br
Synonyms	7312-11-0, methyl 5-bromo-1-benzothiophene-2-carboxylate, methyl 5-bromobenzo[b]thiophene-2-carboxylate, 5-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, methyl ester, Maybridge4_002488, AC1ME7Q9, SCHEMBL256555, CTK5D7386, DTXSID00384973, XDYVZHUZZZKQOS-UHFFFAOYSA-N, HMS1528B02, ZINC170134, ACT04832, 1357AC, ANW-55048, FD7324, MFCD05662034, AKOS005071196, CCG-249609, MCULE-8059095102, PB18671, RP15151, VT20424, IDI1_032366, KS-0000201J, AJ-17401, BP-20476, SC-50236, ZB009182, AB0002590, DB-055725, Methyl5-BroMobenzo[b]thiophen-2-carboxylate, TR-023789, CS-0053872, FT-0636430, methyl 5-bromobenzo[b]thiophen-2-carboxylate, Methyl 5-Bromo-1-Benzothiophene-2Carboxylate, methyl 5-bromo-benzo[b]thiophene-2-carboxylate, Q-1079, 312M110, 7X-0709, 5-Bromo-benzo[b]thiophene-2-carboxylic methyl ester, 5-bromobenzothiophene-2-carboxylic acid methyl ester, J-522464, I01-12963, C10H7BrO2S, ZINC00170134, CID2824065, METHYL5-BROMO-1-BENZOTHIOPHENE-2-CARBOXYLATE,

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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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