AG002TPL

265652-38-8 | 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, methyl ester

AG002TPL

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CAS Number	265652-38-8
Catalog Number	AG002TPL(AGN-PC-0WCY56)
Chemical Name	2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, methyl ester
IUPAC Name	methyl 4-bromo-3-methylthiophene-2-carboxylate
InChI	InChI=1S/C7H7BrO2S/c1-4-5(8)3-11-6(4)7(9)10-2/h3H,1-2H3
InChI Key	ZTDYZXWQADNRRI-UHFFFAOYSA-N
MDL Number	MFCD14584476
Molecular Formula	C7H7BrO2S
Molecular Weight	235.0983
SMILES	O=C(C1=C(C)C(Br)=CS1)OC
Synonyms	Methyl 4-bromo-3-methylthiophene-2-carboxylate, 265652-38-8, 4-bromo-3-methyl-2-Thiophenecarboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, methyl ester, SCHEMBL1529989, ZTDYZXWQADNRRI-UHFFFAOYSA-N, ZINC98214271, FS-4920, DB-067647, FT-0710815, methyl 4-bromo-3-methyl-2-thiophenecarboxylate, methyl-4-bromo-3-methylthiophene-2-carboxylate, 4-Bromo-3-methyl-thiophene-2-carboxylic acid methyl ester,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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