2H-1,2,3-Triazole, 2-phenyl-


Chemical Name: 2H-1,2,3-Triazole, 2-phenyl-
CAS Number: 51039-49-7
Product Number: AG00DI1Y(AGN-PC-0LM9XD)
Synonyms:
MDL No:
Molecular Formula: C8H7N3
Molecular Weight: 145.1613

Identification/Properties


Computed Properties
Molecular Weight:
145.165g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
145.064g/mol
Monoisotopic Mass:
145.064g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
115
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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