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88064-17-9 | 1H-Pyrazole, 1-[(diethoxyphosphinyl)oxy]-
CAS No: 88064-17-9 Catalog No: AG004FFM MDL No:
Product Description
Catalog Number:
AG004FFM
Chemical Name:
1H-Pyrazole, 1-[(diethoxyphosphinyl)oxy]-
CAS Number:
88064-17-9
Molecular Formula:
C7H13N2O4P
Molecular Weight:
220.1629
IUPAC Name:
diethyl pyrazol-1-yl phosphate
InChI:
InChI=1S/C7H13N2O4P/c1-3-11-14(10,12-4-2)13-9-7-5-6-8-9/h5-7H,3-4H2,1-2H3
InChI Key:
HNIDYGWHRWPCBN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(On1cccn1)OCC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.165g/mol
Monoisotopic Mass:
220.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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