AG000V23

130879-62-8 | 2(1H)-Pyrazinone, 3,5-dichloro-

AG000V23

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CAS Number	130879-62-8
Catalog Number	AG000V23(AGN-PC-03LDXD)
Chemical Name	2(1H)-Pyrazinone, 3,5-dichloro-
IUPAC Name	3,5-dichloro-1H-pyrazin-2-one
InChI	InChI=1S/C4H2Cl2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)
InChI Key	XDHJAHNEBHARQO-UHFFFAOYSA-N
MDL Number	MFCD16659508
Molecular Formula	C4H2Cl2N2O
Molecular Weight	164.9775
SMILES	O=C1C(Cl)=NC(Cl)=CN1
Synonyms	3,5-Dichloropyrazin-2(1H)-one, 130879-62-8, 3,5-dichloropyrazin-2-ol, SCHEMBL1559215, 3,5-dichloro-1H-pyrazin-2-one, 3,5-Dichloro-2(1H)-pyrazinone, 3,5-dichloro-2-(1h)-pyrazinone, MFCD16659508, ZINC95933533, DS-7628, FCH1188467, AK143271, AJ-138064, AX8262066,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.954g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.973g/mol
Monoisotopic Mass	163.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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