1H-1,2,4-Triazole, 3-(chloromethyl)-1-methyl-, monohydrochloride


Chemical Name: 1H-1,2,4-Triazole, 3-(chloromethyl)-1-methyl-, monohydrochloride
CAS Number: 135206-76-7
Product Number: AG007ZOO(AGN-PC-0PKIUH)
Synonyms:
MDL No:
Molecular Formula: C4H7Cl2N3
Molecular Weight: 168.0245

Identification/Properties


Computed Properties
Molecular Weight:
168.021g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
167.002g/mol
Monoisotopic Mass:
167.002g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
77.7
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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