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Home > Nitro Compounds > 123846-66-2
123846-66-2 | 2-Pyridineacetonitrile, 5-nitro-
CAS No: 123846-66-2 Catalog No: AG000L5K MDL No:MFCD09033814
Product Description
Catalog Number:
AG000L5K
Chemical Name:
2-Pyridineacetonitrile, 5-nitro-
CAS Number:
123846-66-2
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD09033814
IUPAC Name:
2-(5-nitropyridin-2-yl)acetonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2
InChI Key:
PHCKNSBYAFTJKZ-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
214
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:
1
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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