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Home > Nitro Compounds > 827622-85-5
827622-85-5 | 4(1H)-Pyridinone, 2,3-dihydro-2-(4-nitrophenyl)-
CAS No: 827622-85-5 Catalog No: AG004TPQ MDL No:
Product Description
Catalog Number:
AG004TPQ
Chemical Name:
4(1H)-Pyridinone, 2,3-dihydro-2-(4-nitrophenyl)-
CAS Number:
827622-85-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
2-(4-nitrophenyl)-2,3-dihydro-1H-pyridin-4-one
InChI:
InChI=1S/C11H10N2O3/c14-10-5-6-12-11(7-10)8-1-3-9(4-2-8)13(15)16/h1-6,11-12H,7H2
InChI Key:
DOJPLVZFFBQIBX-UHFFFAOYSA-N
SMILES:
O=C1C=CNC(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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