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86864-89-3 | PHOSPHORIC ACID 2,4-DIMETHYLPHENYL 2,6-DIMETHYLPHENYL PHENYL ESTER
CAS No: 86864-89-3 Catalog No: AG004ILD MDL No:
Product Description
Catalog Number:
AG004ILD
Chemical Name:
PHOSPHORIC ACID 2,4-DIMETHYLPHENYL 2,6-DIMETHYLPHENYL PHENYL ESTER
CAS Number:
86864-89-3
Molecular Formula:
C22H23O4P
Molecular Weight:
382.3894
IUPAC Name:
(2,4-dimethylphenyl) (2,6-dimethylphenyl) phenyl phosphate
InChI:
InChI=1S/C22H23O4P/c1-16-13-14-21(19(4)15-16)25-27(23,24-20-11-6-5-7-12-20)26-22-17(2)9-8-10-18(22)3/h5-15H,1-4H3
InChI Key:
CMMLWWDEAQPEPF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)OP(=O)(Oc1c(C)cccc1C)Oc1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.133g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.396g/mol
Monoisotopic Mass:
382.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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