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Home > Fluorides > 863443-02-1
863443-02-1 | 2(1H)-PYRIDINONE, 5-[(4-FLUOROPHENYL)METHYL]-3-NITRO-
CAS No: 863443-02-1 Catalog No: AG004QVT MDL No:
Product Description
Catalog Number:
AG004QVT
Chemical Name:
2(1H)-PYRIDINONE, 5-[(4-FLUOROPHENYL)METHYL]-3-NITRO-
CAS Number:
863443-02-1
Molecular Formula:
C12H9FN2O3
Molecular Weight:
248.2099
IUPAC Name:
5-[(4-fluorophenyl)methyl]-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C12H9FN2O3/c13-10-3-1-8(2-4-10)5-9-6-11(15(17)18)12(16)14-7-9/h1-4,6-7H,5H2,(H,14,16)
InChI Key:
CUYXBYKZNMCVND-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cc1c[nH]c(=O)c(c1)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.213g/mol
Monoisotopic Mass:
248.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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