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86733-55-3 | Phosphinous acid, bis(1H-1,2,4-triazol-1-yl)-, 2-chlorophenyl ester
CAS No: 86733-55-3 Catalog No: AG004NBL MDL No:
Product Description
Catalog Number:
AG004NBL
Chemical Name:
Phosphinous acid, bis(1H-1,2,4-triazol-1-yl)-, 2-chlorophenyl ester
CAS Number:
86733-55-3
Molecular Formula:
C10H8ClN6OP
Molecular Weight:
294.6369
IUPAC Name:
(2-chlorophenoxy)-bis(1,2,4-triazol-1-yl)phosphane
InChI:
InChI=1S/C10H8ClN6OP/c11-9-3-1-2-4-10(9)18-19(16-7-12-5-14-16)17-8-13-6-15-17/h1-8H
InChI Key:
DECFTHSLRGMUOQ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1OP(n1cncn1)n1cncn1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.639g/mol
Monoisotopic Mass:
294.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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