3-(1,2,4-triazol-1-yl)benzaldehyde


Chemical Name: 3-(1,2,4-triazol-1-yl)benzaldehyde
CAS Number: 868755-54-8
Product Number: AG003HZ5(AGN-PC-01XFRV)
Synonyms:
MDL No: MFCD08271896
Molecular Formula: C9H7N3O
Molecular Weight: 173.1714

Identification/Properties


Properties
MP:
115 °C
BP:
375.4 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
173.175g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
173.059g/mol
Monoisotopic Mass:
173.059g/mol
Topological Polar Surface Area:
47.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
186
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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