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127814-01-1 | Phosphoric acid, phenyl bis[(1-phenylethyl)phenyl] ester (9CI)
CAS No: 127814-01-1 Catalog No: AG000XFM MDL No:
Product Description
Catalog Number:
AG000XFM
Chemical Name:
Phosphoric acid, phenyl bis[(1-phenylethyl)phenyl] ester (9CI)
CAS Number:
127814-01-1
Molecular Formula:
C34H31O4P
Molecular Weight:
534.5813
IUPAC Name:
phenyl bis[2-(1-phenylethyl)phenyl] phosphate
InChI:
InChI=1S/C34H31O4P/c1-26(28-16-6-3-7-17-28)31-22-12-14-24-33(31)37-39(35,36-30-20-10-5-11-21-30)38-34-25-15-13-23-32(34)27(2)29-18-8-4-9-19-29/h3-27H,1-2H3
InChI Key:
UMVZPPNANKTUGR-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1OP(=O)(Oc1ccccc1C(c1ccccc1)C)Oc1ccccc1)c1ccccc1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.196g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.592g/mol
Monoisotopic Mass:
534.196g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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