Benzenamine, 3-(1H-1,2,4-triazol-1-yl)-


Chemical Name: Benzenamine, 3-(1H-1,2,4-triazol-1-yl)-
CAS Number: 176032-78-3
Product Number: AG0021DF(AGN-PC-044AHK)
Synonyms:
MDL No: MFCD08271899
Molecular Formula: C8H8N4
Molecular Weight: 160.1759

Identification/Properties


Computed Properties
Molecular Weight:
160.18g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
160.075g/mol
Monoisotopic Mass:
160.075g/mol
Topological Polar Surface Area:
56.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
150
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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