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Home > Nitro Compounds > 53427-97-7
53427-97-7 | 1-(4-Nitro-phenyl)-1H-pyridin-2-one
CAS No: 53427-97-7 Catalog No: AG00JPG6 MDL No:
Product Description
Catalog Number:
AG00JPG6
Chemical Name:
1-(4-Nitro-phenyl)-1H-pyridin-2-one
CAS Number:
53427-97-7
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
IUPAC Name:
1-(4-nitrophenyl)pyridin-2-one
InChI:
InChI=1S/C11H8N2O3/c14-11-3-1-2-8-12(11)9-4-6-10(7-5-9)13(15)16/h1-8H
InChI Key:
GHNIJTDEWVCPBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ccccc1=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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