AG0007OR

1025468-06-7 | 2-Thiazolecarboxylic acid, 4-bromo-, methyl ester

AG0007OR

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CAS Number	1025468-06-7
Catalog Number	AG0007OR(AGN-PC-086DQP)
Chemical Name	2-Thiazolecarboxylic acid, 4-bromo-, methyl ester
IUPAC Name	methyl 4-bromo-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C5H4BrNO2S/c1-9-5(8)4-7-3(6)2-10-4/h2H,1H3
InChI Key	PVBDGICQWHWHGK-UHFFFAOYSA-N
MDL Number	MFCD11114545
Molecular Formula	C5H4BrNO2S
Molecular Weight	222.0598
SMILES	O=C(C1=NC(Br)=CS1)OC
Synonyms	1025468-06-7, Methyl-4-bromothiazole-2-carboxylate, METHYL 4-BROMO-2-THIAZOLE-CARBOXYLATE, METHYL 4-BROMOTHIAZOLE-2-CARBOXYLATE, METHYL 4-BROMO-1,3-THIAZOLE-2-CARBOXYLATE, 2-Thiazolecarboxylic acid, 4-bromo-, methyl ester, SCHEMBL1682676, PVBDGICQWHWHGK-UHFFFAOYSA-N, 7654AC, MFCD11114545, ZINC72204584, AKOS015944113, DS-8619, MB09382, KS-000004F7, AK146642, QC-11789, SC-84478, AJ-120647, 4CH-022456, CS-0036359, FT-0720323, ST24048094, 4-Bromo-thiazole-2-carboxylic acid methyl ester, Methyl 4-bromothiazole-2-carboxylate, AldrichCPR, C5H4BrNO2S, Methyl 4-bromo-2-thiazole-carboxylate, 95% - 1G 1g,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.915g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.056g/mol
Monoisotopic Mass	220.915g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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