AG000CZH

1166831-45-3 | 2-Pyrazinecarboxylic acid, 6-chloro-3-methyl-, methyl ester

AG000CZH

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CAS Number	1166831-45-3
Catalog Number	AG000CZH(AGN-PC-0C8EEE)
Chemical Name	2-Pyrazinecarboxylic acid, 6-chloro-3-methyl-, methyl ester
IUPAC Name	methyl 6-chloro-3-methylpyrazine-2-carboxylate
InChI	InChI=1S/C7H7ClN2O2/c1-4-6(7(11)12-2)10-5(8)3-9-4/h3H,1-2H3
InChI Key	SFIUVTLMZTWARM-UHFFFAOYSA-N
MDL Number	MFCD26127384
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.5957
SMILES	O=C(C1=NC(Cl)=CN=C1C)OC
Synonyms	methyl 6-chloro-3-methylpyrazine-2-carboxylate, 1166831-45-3, AK158180, 2-Pyrazinecarboxylic acid, 6-chloro-3-methyl-, methyl ester, SCHEMBL361702, KS-00000QXB, SFIUVTLMZTWARM-UHFFFAOYSA-N, MFCD26127384, ZINC98086065, AKOS024262381, FCH2424310, QC-11140, AJ-138520, AX8242478, ST2407295, 2-Pyrazinecarboxylicacid,6-chloro-3-methyl-,methylester, 6-Chloro-3-methyl-pyrazine-2-carboxylic acid methyl ester,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.595g/mol
Monoisotopic Mass	186.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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