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115-87-7 | Phosphoric acid, bis[4-(1,1-dimethylethyl)phenyl] phenyl ester
CAS No: 115-87-7 Catalog No: AG000FKB MDL No:
Product Description
Catalog Number:
AG000FKB
Chemical Name:
Phosphoric acid, bis[4-(1,1-dimethylethyl)phenyl] phenyl ester
CAS Number:
115-87-7
Molecular Formula:
C26H31O4P
Molecular Weight:
438.4957
IUPAC Name:
bis(4-tert-butylphenyl) phenyl phosphate
InChI:
InChI=1S/C26H31O4P/c1-25(2,3)20-12-16-23(17-13-20)29-31(27,28-22-10-8-7-9-11-22)30-24-18-14-21(15-19-24)26(4,5)6/h7-19H,1-6H3
InChI Key:
PDLPMCXGPIVYQQ-UHFFFAOYSA-N
SMILES:
O=P(Oc1ccc(cc1)C(C)(C)C)(Oc1ccc(cc1)C(C)(C)C)Oc1ccccc1
NSC Number:
44042
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.196g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.504g/mol
Monoisotopic Mass:
438.196g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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