1H-Benzotriazole, 5-chloro-


Chemical Name: 1H-Benzotriazole, 5-chloro-
CAS Number: 94-97-3
Product Number: AG003MOJ(AGN-PC-0OO04R)
Synonyms:
MDL No:
Molecular Formula: C6H4ClN3
Molecular Weight: 153.5691

Identification/Properties


Properties
MP:
157-159 °C(lit.)
BP:
315.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.7200 (estimate)
Computed Properties
Molecular Weight:
153.569g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
153.009g/mol
Monoisotopic Mass:
153.009g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
130
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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