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16368-97-1 | Bis(2-ethylhexyl) phenyl phosphate
CAS No: 16368-97-1 Catalog No: AG003APA MDL No:
Product Description
Catalog Number:
AG003APA
Chemical Name:
Bis(2-ethylhexyl) phenyl phosphate
CAS Number:
16368-97-1
Molecular Formula:
C22H39O4P
Molecular Weight:
398.5164
IUPAC Name:
bis(2-ethylhexyl) phenyl phosphate
InChI:
InChI=1S/C22H39O4P/c1-5-9-14-20(7-3)18-24-27(23,26-22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
InChI Key:
ZXZYMQCBRZBVIC-UHFFFAOYSA-N
SMILES:
CCCCC(COP(=O)(Oc1ccccc1)OCC(CCCC)CC)CC
EC Number:
240-424-5
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.259g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.524g/mol
Monoisotopic Mass:
398.259g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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