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Home > Nitro Compounds > 147801-96-5
147801-96-5 | Ethanone, 1-[2-(4-nitrobenzoyl)phenyl]-
CAS No: 147801-96-5 Catalog No: AG001F82 MDL No:
Product Description
Catalog Number:
AG001F82
Chemical Name:
Ethanone, 1-[2-(4-nitrobenzoyl)phenyl]-
CAS Number:
147801-96-5
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
IUPAC Name:
1-[2-(4-nitrobenzoyl)phenyl]ethanone
InChI:
InChI=1S/C15H11NO4/c1-10(17)13-4-2-3-5-14(13)15(18)11-6-8-12(9-7-11)16(19)20/h2-9H,1H3
InChI Key:
APZYFCREHKHWKI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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