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Home > Nitro Compounds > 890099-80-6
890099-80-6 | 3-ACETOXY-4'-NITROBENZOPHENONE
CAS No: 890099-80-6 Catalog No: AG0043L0 MDL No:
Product Description
Catalog Number:
AG0043L0
Chemical Name:
3-ACETOXY-4'-NITROBENZOPHENONE
CAS Number:
890099-80-6
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
[3-(4-nitrobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H11NO5/c1-10(17)21-14-4-2-3-12(9-14)15(18)11-5-7-13(8-6-11)16(19)20/h2-9H,1H3
InChI Key:
YPLYUINJBXVPFV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
409
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:
3.2
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