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141521-49-5 | Phosphine, diphenyl(2-phenyl-4H-1,3,2-benzodioxaborin-4-yl)-
CAS No: 141521-49-5 Catalog No: AG001GIP MDL No:
Product Description
Catalog Number:
AG001GIP
Chemical Name:
Phosphine, diphenyl(2-phenyl-4H-1,3,2-benzodioxaborin-4-yl)-
CAS Number:
141521-49-5
Molecular Formula:
C25H20BO2P
Molecular Weight:
394.2099
IUPAC Name:
diphenyl-(2-phenyl-4H-1,3,2-benzodioxaborinin-4-yl)phosphane
InChI:
InChI=1S/C25H20BO2P/c1-4-12-20(13-5-1)26-27-24-19-11-10-18-23(24)25(28-26)29(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,25H
InChI Key:
IXGRUGXBCCCDSK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)B1Oc2ccccc2C(O1)P(c1ccccc1)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.129g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.217g/mol
Monoisotopic Mass:
394.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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