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88064-28-2 | 1H-Pyrazole, 1-[(diethoxyphosphinothioyl)oxy]-3,4,5-triiodo-
CAS No: 88064-28-2 Catalog No: AG004KRT MDL No:
Product Description
Catalog Number:
AG004KRT
Chemical Name:
1H-Pyrazole, 1-[(diethoxyphosphinothioyl)oxy]-3,4,5-triiodo-
CAS Number:
88064-28-2
Molecular Formula:
C7H10I3N2O3PS
Molecular Weight:
613.9181
IUPAC Name:
diethoxy-sulfanylidene-(3,4,5-triiodopyrazol-1-yl)oxy-λ5-phosphane
InChI:
InChI=1S/C7H10I3N2O3PS/c1-3-13-16(17,14-4-2)15-12-7(10)5(8)6(9)11-12/h3-4H2,1-2H3
InChI Key:
BFHRLEGNRMOCPG-UHFFFAOYSA-N
SMILES:
CCOP(=S)(On1nc(c(c1I)I)I)OCC
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
613.728g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
613.915g/mol
Monoisotopic Mass:
613.728g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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