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142055-58-1 | Phosphonic acid, (4-methylphenyl)-, bis(4-methylphenyl) ester (9CI)
CAS No: 142055-58-1 Catalog No: AG001HO1 MDL No:
Product Description
Catalog Number:
AG001HO1
Chemical Name:
Phosphonic acid, (4-methylphenyl)-, bis(4-methylphenyl) ester (9CI)
CAS Number:
142055-58-1
Molecular Formula:
C21H21O3P
Molecular Weight:
352.3634
IUPAC Name:
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
InChI:
InChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)23-25(22,21-14-8-18(3)9-15-21)24-20-12-6-17(2)7-13-20/h4-15H,1-3H3
InChI Key:
XDCOXHNHAVWFLJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)P(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.37g/mol
Monoisotopic Mass:
352.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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