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(3-nitrophenyl)(phenyl)methanone

CAS No.:
2243-80-3
Catalog Number:
AG003JT7
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
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Product Description
Catalog Number:
AG003JT7
Chemical Name:
(3-nitrophenyl)(phenyl)methanone
CAS Number:
2243-80-3
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD00007257
IUPAC Name:
(3-nitrophenyl)-phenylmethanone
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
InChI Key:
MFYLRNKOXORIPK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])c1ccccc1
EC Number:
218-819-9
NSC Number:
37083
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties