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Home > Nitro Compounds > 890099-64-6
890099-64-6 | 4-ACETOXY-4'-NITROBENZOPHENONE
CAS No: 890099-64-6 Catalog No: AG004447 MDL No:MFCD07698961
Product Description
Catalog Number:
AG004447
Chemical Name:
4-ACETOXY-4'-NITROBENZOPHENONE
CAS Number:
890099-64-6
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
MDL Number:
MFCD07698961
IUPAC Name:
[4-(4-nitrobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H11NO5/c1-10(17)21-14-8-4-12(5-9-14)15(18)11-2-6-13(7-3-11)16(19)20/h2-9H,1H3
InChI Key:
CDSYRIIULIOLFY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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