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


Chemical Name: Phenol, 3-(4H-1,2,4-triazol-4-yl)-
CAS Number: 746656-39-3
Product Number: AG00FD4N(AGN-PC-01CLTU)
Synonyms:
MDL No:
Molecular Formula: C8H7N3O
Molecular Weight: 161.1607

Identification/Properties


Computed Properties
Molecular Weight:
161.164g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
161.059g/mol
Monoisotopic Mass:
161.059g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
147
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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