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115601-16-6 | Phosphonic acid, [phenyl(phenylimino)methyl]-, diphenyl ester (9CI)
CAS No: 115601-16-6 Catalog No: AG000G8Q MDL No:
Product Description
Catalog Number:
AG000G8Q
Chemical Name:
Phosphonic acid, [phenyl(phenylimino)methyl]-, diphenyl ester (9CI)
CAS Number:
115601-16-6
Molecular Formula:
C25H20NO3P
Molecular Weight:
413.4050
IUPAC Name:
1-diphenoxyphosphoryl-N,1-diphenylmethanimine
InChI:
InChI=1S/C25H20NO3P/c27-30(28-23-17-9-3-10-18-23,29-24-19-11-4-12-20-24)25(21-13-5-1-6-14-21)26-22-15-7-2-8-16-22/h1-20H
InChI Key:
VHLZUYGRHNYCCT-UHFFFAOYSA-N
SMILES:
O=P(C(=Nc1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.118g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.413g/mol
Monoisotopic Mass:
413.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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