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86864-90-6 | PHOSPHORIC ACID 2,4-DIMETHYLPHENYL PHENYL 2,4,6-TRIMETHYLPHENYL ESTER
CAS No: 86864-90-6 Catalog No: AG004PJ1 MDL No:
Product Description
Catalog Number:
AG004PJ1
Chemical Name:
PHOSPHORIC ACID 2,4-DIMETHYLPHENYL PHENYL 2,4,6-TRIMETHYLPHENYL ESTER
CAS Number:
86864-90-6
Molecular Formula:
C23H25O4P
Molecular Weight:
396.4160
IUPAC Name:
(2,4-dimethylphenyl) phenyl (2,4,6-trimethylphenyl) phosphate
InChI:
InChI=1S/C23H25O4P/c1-16-11-12-22(18(3)13-16)26-28(24,25-21-9-7-6-8-10-21)27-23-19(4)14-17(2)15-20(23)5/h6-15H,1-5H3
InChI Key:
ROFWBXMFJOTAQZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)OP(=O)(Oc1c(C)cc(cc1C)C)Oc1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.423g/mol
Monoisotopic Mass:
396.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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