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13689-20-8

13689-20-8 | Phosphine oxide, cyclohexyldiphenyl-

CAS No: 13689-20-8 Catalog No: AG0012JX MDL No:MFCD00014301

Product Description

Catalog Number:
AG0012JX
Chemical Name:
Phosphine oxide, cyclohexyldiphenyl-
CAS Number:
13689-20-8
Molecular Formula:
C18H21OP
Molecular Weight:
284.3325
MDL Number:
MFCD00014301
IUPAC Name:
[cyclohexyl(phenyl)phosphoryl]benzene
InChI:
InChI=1S/C18H21OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChI Key:
ICVUZKQDJNUMKC-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(c1ccccc1)C1CCCCC1
EC Number:
237-204-6

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.339g/mol
Monoisotopic Mass:
284.133g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Literature

Title Journal
Rigorous interpretation of electronic density functions of axial and equatorial conformers of dimethylphosphinoylcyclohexane, 2-(dimethylphosphinoyl)-1,3,5-trithiane, and 2-(dimethylphosphinoyl)-1,3-dithiane-1,1,3,3-tetraoxide. The Journal of organic chemistry 20010504

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