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7598-42-7 | Benzophenone, 4,4''-azoxybis[3-methoxy- (7CI,8CI)
CAS No: 7598-42-7 Catalog No: AG005GVG MDL No:
Product Description
Catalog Number:
AG005GVG
Chemical Name:
Benzophenone, 4,4''-azoxybis[3-methoxy- (7CI,8CI)
CAS Number:
7598-42-7
Molecular Formula:
C28H22N2O5
Molecular Weight:
466.4847
IUPAC Name:
(4-benzoyl-2-methoxyphenyl)-(4-benzoyl-2-methoxyphenyl)imino-oxidoazanium
InChI:
InChI=1S/C28H22N2O5/c1-34-25-17-21(27(31)19-9-5-3-6-10-19)13-15-23(25)29-30(33)24-16-14-22(18-26(24)35-2)28(32)20-11-7-4-8-12-20/h3-18H,1-2H3
InChI Key:
KPJICZHWXULMMU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N=[N+](c1ccc(cc1OC)C(=O)c1ccccc1)[O-])C(=O)c1ccccc1
NSC Number:
406645
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.153g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.493g/mol
Monoisotopic Mass:
466.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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