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116222-93-6 | Phosphonic acid, [(phenylthio)methyl]-, diphenyl ester (9CI)
CAS No: 116222-93-6 Catalog No: AG000BY8 MDL No:
Product Description
Catalog Number:
AG000BY8
Chemical Name:
Phosphonic acid, [(phenylthio)methyl]-, diphenyl ester (9CI)
CAS Number:
116222-93-6
Molecular Formula:
C19H17O3PS
Molecular Weight:
356.3752
IUPAC Name:
[phenoxy(phenylsulfanylmethyl)phosphoryl]oxybenzene
InChI:
InChI=1S/C19H17O3PS/c20-23(21-17-10-4-1-5-11-17,22-18-12-6-2-7-13-18)16-24-19-14-8-3-9-15-19/h1-15H,16H2
InChI Key:
WKCFCRKJJXZCBQ-UHFFFAOYSA-N
SMILES:
O=P(Oc1ccccc1)(Oc1ccccc1)CSc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.376g/mol
Monoisotopic Mass:
356.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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