AG00C8B2

360575-29-7 | 4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

AG00C8B2

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CAS Number	360575-29-7
Catalog Number	AG00C8B2(AGN-PC-03PEAG)
Chemical Name	4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 4-bromo-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C10H7BrO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChI Key	AOQIBJZMRMVKSH-UHFFFAOYSA-N
MDL Number	MFCD07371547
Molecular Formula	C10H7BrO2S
Molecular Weight	271.1304
SMILES	O=C(C1=CC2=C(Br)C=CC=C2S1)OC
Synonyms	360575-29-7, Methyl 4-bromobenzo[b]thiophene-2-carboxylate, Methyl 4-bromo-1-benzothiophene-2-carboxylate, 4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, AK161897, Benzo[b]thiophene-2-carboxylicacid, 4-bromo-, methyl ester, 4-bromobenzo[b]thiophene-2-carboxylic acid methyl ester, SCHEMBL828976, CTK4H5818, DTXSID30625902, AOQIBJZMRMVKSH-UHFFFAOYSA-N, KS-000003PR, ZINC8729978, ZX-AT012377, CM-404, MFCD07371547, AKOS005072782, FA-0932, FCH1382925, MCULE-2354675224, OR14065, PB30905, RP15152, RTR-014834, AC-22773, AJ-58957, 2-methoxycarbonyl-4-bromobenzo-[b]thiophene, AX8025873, DB-069300, TR-014834, 4CH-023299, CS-0041253, FT-0681002, ST24047904, X3439, Methyl-4-bromobenzo[b]thiophene-2-carboxylate, A23032, Q-1401, J-522323, 4-Bromobenzothiophene-2-Carboxylic Acid Methyl Ester, I01-12949, C10H7BrO2S, 4-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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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