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23666-93-5 | Phosphoric acid, bis(2,6-dimethylphenyl) phenyl ester
CAS No: 23666-93-5 Catalog No: AG002O2A MDL No:
Product Description
Catalog Number:
AG002O2A
Chemical Name:
Phosphoric acid, bis(2,6-dimethylphenyl) phenyl ester
CAS Number:
23666-93-5
Molecular Formula:
C22H23O4P
Molecular Weight:
382.3894
IUPAC Name:
bis(2,6-dimethylphenyl) phenyl phosphate
InChI:
InChI=1S/C22H23O4P/c1-16-10-8-11-17(2)21(16)25-27(23,24-20-14-6-5-7-15-20)26-22-18(3)12-9-13-19(22)4/h5-15H,1-4H3
InChI Key:
NRHMSJGIJYQISI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)Oc1ccccc1)C
Properties
Complexity:
453
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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