AG001VGS

160906-98-9 | 3-Pyridinecarbonitrile, 6-chloro-5-nitro-

AG001VGS

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CAS Number	160906-98-9
Catalog Number	AG001VGS(AGN-PC-0WNOBL)
Chemical Name	3-Pyridinecarbonitrile, 6-chloro-5-nitro-
IUPAC Name	6-chloro-5-nitropyridine-3-carbonitrile
InChI	InChI=1S/C6H2ClN3O2/c7-6-5(10(11)12)1-4(2-8)3-9-6/h1,3H
InChI Key	MOSUYPAVZUSBNE-UHFFFAOYSA-N
MDL Number	MFCD18905778
Molecular Formula	C6H2ClN3O2
Molecular Weight	183.5520
SMILES	N#CC1=CN=C(Cl)C([N+]([O-])=O)=C1
Synonyms	6-chloro-5-nitronicotinonitrile, 160906-98-9, 6-chloro-5-nitropyridine-3-carbonitrile, 2-Chloro-3-nitro-5-cyanopyridine, 3-Pyridinecarbonitrile, 6-chloro-5-nitro-, 6-hloro-5-itronicotinonitrile, SCHEMBL4915599, MOSUYPAVZUSBNE-UHFFFAOYSA-N, 2-chloro-5-cyano-3-nitropyridine, MFCD18905778, ZINC95942435, AKOS024061743, NE61302, SB18583, KS-0000069U, 6-chloro-5-nitro-3-pyridinecarbonitrile, AS-51366, SC-90612, CS-0050398, Z1982490475,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.551g/mol
Monoisotopic Mass	182.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number