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88965-51-9 | Methanone, (3-fluoro-4-nitrophenyl)phenyl-
CAS No: 88965-51-9 Catalog No: AG0047HI MDL No:
Product Description
Catalog Number:
AG0047HI
Chemical Name:
Methanone, (3-fluoro-4-nitrophenyl)phenyl-
CAS Number:
88965-51-9
Molecular Formula:
C13H8FNO3
Molecular Weight:
245.2059
IUPAC Name:
(3-fluoro-4-nitrophenyl)-phenylmethanone
InChI:
InChI=1S/C13H8FNO3/c14-11-8-10(6-7-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
InChI Key:
VHIURERRQIVDJU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.209g/mol
Monoisotopic Mass:
245.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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