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88064-21-5 | 1H-Pyrazole, 1-[(diethoxyphosphinothioyl)oxy]-4-iodo-
CAS No: 88064-21-5 Catalog No: AG004KRV MDL No:
Product Description
Catalog Number:
AG004KRV
Chemical Name:
1H-Pyrazole, 1-[(diethoxyphosphinothioyl)oxy]-4-iodo-
CAS Number:
88064-21-5
Molecular Formula:
C7H12IN2O3PS
Molecular Weight:
362.1250
IUPAC Name:
diethoxy-(4-iodopyrazol-1-yl)oxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C7H12IN2O3PS/c1-3-11-14(15,12-4-2)13-10-6-7(8)5-9-10/h5-6H,3-4H2,1-2H3
InChI Key:
CAJASNJTHMVTBU-UHFFFAOYSA-N
SMILES:
CCOP(=S)(On1ncc(c1)I)OCC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.935g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.122g/mol
Monoisotopic Mass:
361.935g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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