1H-Benzotriazole, 1-(chloromethyl)-


Chemical Name: 1H-Benzotriazole, 1-(chloromethyl)-
CAS Number: 54187-96-1
Product Number: AG0032J1(AGN-PC-0KSIPA)
Synonyms:
MDL No: MFCD00216649
Molecular Formula: C7H6ClN3
Molecular Weight: 167.5956

Identification/Properties


Properties
BP:
305.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
167.596g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
167.025g/mol
Monoisotopic Mass:
167.025g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
142
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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