Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-


Chemical Name: Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number: 112809-25-3
Product Number: AG007S7C(AGN-PC-0M0OQ2)
Synonyms:
MDL No:
Molecular Formula: C10H8N4
Molecular Weight: 184.1973

Identification/Properties


Computed Properties
Molecular Weight:
184.202g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
184.075g/mol
Monoisotopic Mass:
184.075g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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:
H302-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback