AG00GUXA

899897-21-3 | methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate

AG00GUXA

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CAS Number	899897-21-3
Catalog Number	AG00GUXA(AGN-PC-00Z4XM)
Chemical Name	methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
IUPAC Name	methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-3-8-4(5(7)11-3)6(9)10-2/h1-2H3
InChI Key	FINAXYSMTLVVOE-UHFFFAOYSA-N
MDL Number	MFCD09265508
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	BrC1=C(N=C(S1)C)C(=O)OC
Synonyms	Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate, 899897-21-3, Methyl 5-bromo-2-methylthiazole-4-carboxylate, MFCD09265508, SCHEMBL2829789, CTK6J1224, DTXSID80586059, FINAXYSMTLVVOE-UHFFFAOYSA-N, KS-00002A1M, 7406AH, ZINC15021505, AKOS005266420, M2713G1, PS-3831, WT82603, AJ-67014, DA-19326, TR-038902, FT-0725748, C-2001, 5-Bromo-4-(methoxycarbonyl)-2-methyl-1,3-thiazole, methyl-5-bromo-2-methyl-1,3-thiazole-4-carboxylate, Methyl 5-bromo-2-methyl-1,3--thiazole-4-carboxylate, 5-bromo-2-methyl-thiazole-4-carboxylic acid methyl ester, C6H6BrNO2S, Methyl 5-bromo-2-methylthiophene-4-carboxylate, methyl 5-bromo-2-methylthiazole-4-carboxylate, 95% - 1G 1g,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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