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19875-86-6 | Phosphoric acid, thiodi-p-phenylene tetraethyl ester (8CI)
CAS No: 19875-86-6 Catalog No: AG002BQ7 MDL No:
Product Description
Catalog Number:
AG002BQ7
Chemical Name:
Phosphoric acid, thiodi-p-phenylene tetraethyl ester (8CI)
CAS Number:
19875-86-6
Molecular Formula:
C20H28O8P2S
Molecular Weight:
490.4440
IUPAC Name:
[4-(4-diethoxyphosphoryloxyphenyl)sulfanylphenyl] diethyl phosphate
InChI:
InChI=1S/C20H28O8P2S/c1-5-23-29(21,24-6-2)27-17-9-13-19(14-10-17)31-20-15-11-18(12-16-20)28-30(22,25-7-3)26-8-4/h9-16H,5-8H2,1-4H3
InChI Key:
PJCQOPWSORDNJF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=O)(OCC)OCC)OCC
NSC Number:
107875
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.098g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.444g/mol
Monoisotopic Mass:
490.098g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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