AG00355V

56355-61-4 | Methyl 2-bromo-5-methylthiazole-4-carboxylate

AG00355V

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CAS Number	56355-61-4
Catalog Number	AG00355V(AGN-PC-03S44V)
Chemical Name	Methyl 2-bromo-5-methylthiazole-4-carboxylate
IUPAC Name	methyl 2-bromo-5-methyl-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-3-4(5(9)10-2)8-6(7)11-3/h1-2H3
InChI Key	YMKSUNUZQDIVIE-UHFFFAOYSA-N
MDL Number	MFCD14702517
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	BrC=1SC(=C(N1)C(=O)OC)C
Synonyms	Methyl 2-bromo-5-methylthiazole-4-carboxylate, 56355-61-4, Methyl 2-bromo-5-methyl-1,3-thiazole-4-carboxylate, 2-Bromo-4-(methoxycarbonyl)-5-methyl-1,3-thiazole, MFCD14702517, ACMC-209ls0, SCHEMBL1199384, CTK8B1919, DTXSID30626171, YMKSUNUZQDIVIE-UHFFFAOYSA-N, ANW-32494, ZINC67174024, AKOS015852097, FS-5186, RP05709, AK-91501, QC-11831, AJ-116887, TC-069115, CS-0054983, FT-0685514, ST24025224, Y5789, K-9982, J-521965, I14-24975, Methyl 2-bromo-5-methylthiazole-4-carboxylate, AldrichCPR, C6H6BrNO2S, Methyl-2-Bromo-5-methyl-thiazole-4-carboxylate,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.93g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.083g/mol
Monoisotopic Mass	234.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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