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Home > Nitro Compounds > 30235-13-3
30235-13-3 | 2-Pyridinecarbonitrile, 3-methyl-4-nitro-
CAS No: 30235-13-3 Catalog No: AG002ZCF MDL No:MFCD07374926
Product Description
Catalog Number:
AG002ZCF
Chemical Name:
2-Pyridinecarbonitrile, 3-methyl-4-nitro-
CAS Number:
30235-13-3
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD07374926
IUPAC Name:
3-methyl-4-nitropyridine-2-carbonitrile
InChI:
InChI=1S/C7H5N3O2/c1-5-6(4-8)9-3-2-7(5)10(11)12/h2-3H,1H3
InChI Key:
DKPVRRHCWVGYDO-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1C)[N+](=O)[O-]
Properties
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
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