AG003MVL

1089330-68-6 | 5-Methyl-3-nitropicolinonitrile

AG003MVL

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CAS Number	1089330-68-6
Catalog Number	AG003MVL(AGN-PC-0428BG)
Chemical Name	5-Methyl-3-nitropicolinonitrile
IUPAC Name	5-methyl-3-nitropyridine-2-carbonitrile
InChI	InChI=1S/C7H5N3O2/c1-5-2-7(10(11)12)6(3-8)9-4-5/h2,4H,1H3
InChI Key	CWYBJZBJPJILCJ-UHFFFAOYSA-N
MDL Number	MFCD11227179
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	N#CC1=NC=C(C)C=C1[N+]([O-])=O
Synonyms	5-Methyl-3-nitropicolinonitrile, 1089330-68-6, 5-METHYL-3-NITRO-2-PYRIDINECARBONITRILE, 5-methyl-3-nitropyridine-2-carbonitrile, 5-Methyl-3-nitro-pyridine-2-carbonitrile, 2-Cyano-5-methyl-3-nitropyridine, AK-68353, SCHEMBL128443, CTK5I2423, DTXSID40633518, CWYBJZBJPJILCJ-UHFFFAOYSA-N, ZX-RL004395, ANW-61024, FCH890350, MFCD11227179, SBB087676, ZINC43224387, AKOS006323521, AS-5170, QC-6617, RTR-072122, SB16216, TRA0067383, AC-25116, AN-25861, CJ-20376, OR300625, SY046499, 2-Pyridinecarbonitrile,5-Methyl-3-nitro-, AB0001981, AJ-108565, AX8218301, TR-072122, 4CH-021560, CS-0005577, FT-0682806, ST24044876, MFCD11227179 (95%), I02-4293, ACN-028063, 2-Pyridinecarbonitrile, 5-Methyl-3-nitro-,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.136g/mol
Monoisotopic Mass	163.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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