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85480-03-1 | Phosphonodithioic acid, phenyl-, S,S-dioctyl ester
CAS No: 85480-03-1 Catalog No: AG004JQO MDL No:
Product Description
Catalog Number:
AG004JQO
Chemical Name:
Phosphonodithioic acid, phenyl-, S,S-dioctyl ester
CAS Number:
85480-03-1
Molecular Formula:
C22H39OPS2
Molecular Weight:
414.6482
IUPAC Name:
bis(octylsulfanyl)phosphorylbenzene
InChI:
InChI=1S/C22H39OPS2/c1-3-5-7-9-11-16-20-25-24(23,22-18-14-13-15-19-22)26-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
InChI Key:
BOBWZOGOYCCLEC-UHFFFAOYSA-N
SMILES:
CCCCCCCCSP(=O)(c1ccccc1)SCCCCCCCC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.218g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.647g/mol
Monoisotopic Mass:
414.218g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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