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192704-17-9 | Phosphine oxide, bis(3-isocyanatophenyl)phenyl-
CAS No: 192704-17-9 Catalog No: AG002G8B MDL No:
Product Description
Catalog Number:
AG002G8B
Chemical Name:
Phosphine oxide, bis(3-isocyanatophenyl)phenyl-
CAS Number:
192704-17-9
Molecular Formula:
C20H13N2O3P
Molecular Weight:
360.3026
IUPAC Name:
1-isocyanato-3-[(3-isocyanatophenyl)-phenylphosphoryl]benzene
InChI:
InChI=1S/C20H13N2O3P/c23-14-21-16-6-4-10-19(12-16)26(25,18-8-2-1-3-9-18)20-11-5-7-17(13-20)22-15-24/h1-13H
InChI Key:
QNVSDHQPSSIGMV-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)P(=O)(c1cccc(c1)N=C=O)c1ccccc1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.066g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.309g/mol
Monoisotopic Mass:
360.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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