AG000OHA

1256921-67-1 | 2-Pyrazinecarboxylic acid, 6-bromo-3-chloro-, methyl ester

AG000OHA

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CAS Number	1256921-67-1
Catalog Number	AG000OHA(AGN-PC-0WAMSM)
Chemical Name	2-Pyrazinecarboxylic acid, 6-bromo-3-chloro-, methyl ester
IUPAC Name	methyl 6-bromo-3-chloropyrazine-2-carboxylate
InChI	InChI=1S/C6H4BrClN2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3
InChI Key	ZDLDHAIWCZRNOT-UHFFFAOYSA-N
MDL Number	MFCD18250172
Molecular Formula	C6H4BrClN2O2
Molecular Weight	251.4652
SMILES	O=C(C1=NC(Br)=CN=C1Cl)OC
Synonyms	Methyl 6-bromo-3-chloropyrazine-2-carboxylate, 1256921-67-1, SCHEMBL438292, ZDLDHAIWCZRNOT-UHFFFAOYSA-N, MFCD18250172, ZINC87493334, AB72474, AK-68872, DA-13417, DS-17121, QC-11141, AJ-128050, FT-0716075, Y5252, 2-Pyrazinecarboxylic acid, 6-bromo-3-chloro-, methyl ester, 6-Bromo-3-chloro-pyrazine-2-carboxylic acid methyl ester, C6H4BrClN2O2,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.914g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.464g/mol
Monoisotopic Mass	249.914g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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