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113765-39-2 | Phosphoric acid, 3,5-bis(1-methylethyl)phenyl diphenyl ester
CAS No: 113765-39-2 Catalog No: AG0009L4 MDL No:
Product Description
Catalog Number:
AG0009L4
Chemical Name:
Phosphoric acid, 3,5-bis(1-methylethyl)phenyl diphenyl ester
CAS Number:
113765-39-2
Molecular Formula:
C24H27O4P
Molecular Weight:
410.4425
IUPAC Name:
[3,5-di(propan-2-yl)phenyl] diphenyl phosphate
InChI:
InChI=1S/C24H27O4P/c1-18(2)20-15-21(19(3)4)17-24(16-20)28-29(25,26-22-11-7-5-8-12-22)27-23-13-9-6-10-14-23/h5-19H,1-4H3
InChI Key:
PYIXRBAUGAEEEW-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1)C(C)C)OP(=O)(Oc1ccccc1)Oc1ccccc1)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.165g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.45g/mol
Monoisotopic Mass:
410.165g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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