AG003RXE

876938-56-6 | Methyl 5-Bromo-3-methylthiophene-2-carboxylate

AG003RXE

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CAS Number	876938-56-6
Catalog Number	AG003RXE(AGN-PC-09TAKF)
Chemical Name	Methyl 5-Bromo-3-methylthiophene-2-carboxylate
IUPAC Name	methyl 5-bromo-3-methylthiophene-2-carboxylate
InChI	InChI=1S/C7H7BrO2S/c1-4-3-5(8)11-6(4)7(9)10-2/h3H,1-2H3
InChI Key	SHCAFAUPTCPXRD-UHFFFAOYSA-N
MDL Number	MFCD11045160
Molecular Formula	C7H7BrO2S
Molecular Weight	235.0983
SMILES	O=C(C1=C(C)C=C(Br)S1)OC
Synonyms	METHYL 5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLATE, 876938-56-6, 2-Thiophenecarboxylic acid, 5-bromo-3-methyl-, methyl ester, METHYL5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLATE, SCHEMBL2730725, 5-bromo-3-methyl-2-Thiophenecarboxylic acid methyl ester, KS-00000BRG, DTXSID80701583, SHCAFAUPTCPXRD-UHFFFAOYSA-N, 7112AJ, MFCD11045160, ZINC88190263, AKOS027256644, FCH1401917, TRA0080756, CS-11504, SY022823, DB-077083, FT-0706542, MFCD11045160 (95%), C7H7BrO2S,

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	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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