AG00II71

944709-72-2 | Methyl 5-bromo-2-methylthiophene-4-carboxylate

AG00II71

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CAS Number	944709-72-2
Catalog Number	AG00II71(AGN-PC-0WADZU)
Chemical Name	Methyl 5-bromo-2-methylthiophene-4-carboxylate
IUPAC Name	methyl 2-bromo-5-methylthiophene-3-carboxylate
InChI	InChI=1S/C7H7BrO2S/c1-4-3-5(6(8)11-4)7(9)10-2/h3H,1-2H3
InChI Key	ROKSORSRSUAPHR-UHFFFAOYSA-N
MDL Number	MFCD09702018
Molecular Formula	C7H7BrO2S
Molecular Weight	235.0983
SMILES	COC(=O)c1cc(sc1Br)C
Synonyms	944709-72-2, Methyl 2-bromo-5-methylthiophene-3-carboxylate, Methyl 5-bromo-2-methylthiophene-4-carboxylate, 2-Bromo-5-methylthiophene-3-carboxylic acid methyl ester, 2-bromo-5-methyl-3-Thiophenecarboxylic acid methyl ester, SCHEMBL17398205, CTK5H6668, KS-00001AQM, DTXSID90653307, MFCD09702018, ZINC30678002, AKOS015835198, PS-5130, RP05679, RTR-039155, AM804588, DB-079900, TR-039155, FT-0749370, Y4795, 2-Bromo-3-(methoxycarbonyl)-5-methylthiophene, C-2016, J-521966, C7H7BrO2S, METHYL5-BROMO-2-METHYLTHIOPHENE-4-CARBOXYLATE, methyl 2-bromo-5-methylthiophene-3-carboxylate, 95% - 1G 1g,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.935g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.095g/mol
Monoisotopic Mass	233.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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