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3-nitrophenyl phenyl ketone

3-nitrophenyl phenyl ketone

CAS: 2243-80-3

Formula: C13H9NO3

SMILES: [O-][N+](=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1

IUPAC: (3-nitrophenyl)(phenyl)methanone

InChI: InChI=1S/C13H9NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H

Composition: C (68.72%), H (3.99%), N (6.16%), O (21.12%)

Molar Mass: 227.219

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.058243154
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MFYLRNKOXORIPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.95
Topological Polar Surface Area 60.21
Polarizability 23.83
Ring Count 2
Rotatable Bond Count 3

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