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100473-07-2 | Phosphoric acid, bis(1,1-dimethylethyl)phenyl diphenyl ester (9CI)
CAS No: 100473-07-2 Catalog No: AG000222 MDL No:
Product Description
Catalog Number:
AG000222
Chemical Name:
Phosphoric acid, bis(1,1-dimethylethyl)phenyl diphenyl ester (9CI)
CAS Number:
100473-07-2
Molecular Formula:
C26H31O4P
Molecular Weight:
438.4957
IUPAC Name:
(2,3-ditert-butylphenyl) diphenyl phosphate
InChI:
InChI=1S/C26H31O4P/c1-25(2,3)22-18-13-19-23(24(22)26(4,5)6)30-31(27,28-20-14-9-7-10-15-20)29-21-16-11-8-12-17-21/h7-19H,1-6H3
InChI Key:
OZFPTYASNNQOCU-UHFFFAOYSA-N
SMILES:
O=P(Oc1cccc(c1C(C)(C)C)C(C)(C)C)(Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
570
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:
8.3
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