3-(chloromethyl)-4-methyl-1H-1,2,4-triazol-5-one


Chemical Name: 3-(chloromethyl)-4-methyl-1H-1,2,4-triazol-5-one
CAS Number: 1338226-21-3
Product Number: AG009VXD(AGN-PC-0CERUY)
Synonyms:
MDL No:
Molecular Formula: C4H6ClN3O
Molecular Weight: 147.5629

Identification/Properties


Computed Properties
Molecular Weight:
147.562g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
147.02g/mol
Monoisotopic Mass:
147.02g/mol
Topological Polar Surface Area:
44.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
167
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

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NMR Spectrum


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