1H-Benzotriazole, 6-chloro-1-hydroxy-


Chemical Name: 1H-Benzotriazole, 6-chloro-1-hydroxy-
CAS Number: 26198-19-6
Product Number: AG002S8E(AGN-PC-0JOAB5)
Synonyms:
MDL No: MFCD00822645
Molecular Formula: C6H4ClN3O
Molecular Weight: 169.5685

Identification/Properties


Properties
MP:
197 °C
BP:
379.5 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
169.568g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
169.004g/mol
Monoisotopic Mass:
169.004g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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