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Home > Nitro Compounds > 82469-49-6
82469-49-6 | Methanone, [4-(benzoyloxy)-3-nitrophenyl]phenyl-
CAS No: 82469-49-6 Catalog No: AG004VXQ MDL No:
Product Description
Catalog Number:
AG004VXQ
Chemical Name:
Methanone, [4-(benzoyloxy)-3-nitrophenyl]phenyl-
CAS Number:
82469-49-6
Molecular Formula:
C20H13NO5
Molecular Weight:
347.3209
IUPAC Name:
(4-benzoyl-2-nitrophenyl) benzoate
InChI:
InChI=1S/C20H13NO5/c22-19(14-7-3-1-4-8-14)16-11-12-18(17(13-16)21(24)25)26-20(23)15-9-5-2-6-10-15/h1-13H
InChI Key:
VRZOZRVGQISRMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OC(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.326g/mol
Monoisotopic Mass:
347.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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