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72351-28-1 | Phosphinic acid, bis(1H-1,2,4-triazol-1-yl)-, 2-chlorophenyl ester
CAS No: 72351-28-1 Catalog No: AG005I59 MDL No:
Product Description
Catalog Number:
AG005I59
Chemical Name:
Phosphinic acid, bis(1H-1,2,4-triazol-1-yl)-, 2-chlorophenyl ester
CAS Number:
72351-28-1
Molecular Formula:
C10H8ClN6O2P
Molecular Weight:
310.6363
IUPAC Name:
1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole
InChI:
InChI=1S/C10H8ClN6O2P/c11-9-3-1-2-4-10(9)19-20(18,16-7-12-5-14-16)17-8-13-6-15-17/h1-8H
InChI Key:
SULZNMWOSINOKT-UHFFFAOYSA-N
SMILES:
Clc1ccccc1OP(=O)(n1cncn1)n1cncn1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.013g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.638g/mol
Monoisotopic Mass:
310.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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