AG008Z2P

1209458-91-2 | methyl 5-bromo-1,3-thiazole-2-carboxylate

AG008Z2P

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CAS Number	1209458-91-2
Catalog Number	AG008Z2P(AGN-PC-07A8FL)
Chemical Name	methyl 5-bromo-1,3-thiazole-2-carboxylate
IUPAC Name	methyl 5-bromo-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C5H4BrNO2S/c1-9-5(8)4-7-2-3(6)10-4/h2H,1H3
InChI Key	IPIPEKCGDPLTCO-UHFFFAOYSA-N
MDL Number	MFCD14702819
Molecular Formula	C5H4BrNO2S
Molecular Weight	222.0598
SMILES	O=C(C1=NC=C(Br)S1)OC
Synonyms	METHYL 5-BROMOTHIAZOLE-2-CARBOXYLATE, 1209458-91-2, METHYL 5-BROMO-1,3-THIAZOLE-2-CARBOXYLATE, GEO-01790, SCHEMBL12766570, DTXSID90662914, IPIPEKCGDPLTCO-UHFFFAOYSA-N, MFCD14702819, ZINC39953751, AKOS015942748, FCH1387523, MB14341, KS-000004F5, AK-85979, AS-51031, SC-48331, AJ-101386, AX8187968, BB 0261516, CS-0044372, FT-0724677, 2-Thiazolecarboxylic acid, 5-bromo-, methyl ester, Methyl 2-bromothiazole-5-carboxylate, 54045-74-8,

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

Certificate of Analysis

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