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101610-44-0 | Phosphine oxide, diphenyl[α-(propylsulfonyl)phenethyl]- (7CI)
CAS No: 101610-44-0 Catalog No: AG0004ZL MDL No:
Product Description
Catalog Number:
AG0004ZL
Chemical Name:
Phosphine oxide, diphenyl[α-(propylsulfonyl)phenethyl]- (7CI)
CAS Number:
101610-44-0
Molecular Formula:
C23H25O3PS
Molecular Weight:
412.4816
IUPAC Name:
(2-diphenylphosphoryl-2-propylsulfonylethyl)benzene
InChI:
InChI=1S/C23H25O3PS/c1-2-18-28(25,26)23(19-20-12-6-3-7-13-20)27(24,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3
InChI Key:
FBADPRIRGQVTHP-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)C(P(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.126g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.484g/mol
Monoisotopic Mass:
412.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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