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141521-50-8 | Phosphine oxide, diphenyl(2-phenyl-4H-1,3,2-benzodioxaborin-4-yl)-
CAS No: 141521-50-8 Catalog No: AG001GIO MDL No:
Product Description
Catalog Number:
AG001GIO
Chemical Name:
Phosphine oxide, diphenyl(2-phenyl-4H-1,3,2-benzodioxaborin-4-yl)-
CAS Number:
141521-50-8
Molecular Formula:
C25H20BO3P
Molecular Weight:
410.2093
IUPAC Name:
4-diphenylphosphoryl-2-phenyl-4H-1,3,2-benzodioxaborinine
InChI:
InChI=1S/C25H20BO3P/c27-30(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)28-26(29-25)20-12-4-1-5-13-20/h1-19,25H
InChI Key:
RPJNSFJPCYAODL-UHFFFAOYSA-N
SMILES:
O=P(C1OB(Oc2c1cccc2)c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.124g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.216g/mol
Monoisotopic Mass:
410.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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