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Home > Nitro Compounds > 123846-67-3
123846-67-3 | 2-Pyridineacetonitrile, 3-methyl-5-nitro-
CAS No: 123846-67-3 Catalog No: AG000L6V MDL No:MFCD11848720
Product Description
Catalog Number:
AG000L6V
Chemical Name:
2-Pyridineacetonitrile, 3-methyl-5-nitro-
CAS Number:
123846-67-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD11848720
IUPAC Name:
2-(3-methyl-5-nitropyridin-2-yl)acetonitrile
InChI:
InChI=1S/C8H7N3O2/c1-6-4-7(11(12)13)5-10-8(6)2-3-9/h4-5H,2H2,1H3
InChI Key:
ZLJHIKPSNBXLBU-UHFFFAOYSA-N
SMILES:
N#CCc1ncc(cc1C)[N+](=O)[O-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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