1H-Benzotriazole-5-carbonitrile, 1-(1-methylethyl)-


Chemical Name: 1H-Benzotriazole-5-carbonitrile, 1-(1-methylethyl)-
CAS Number: 879558-15-3
Product Number: AG00GVFP(AGN-PC-00C4P6)
Synonyms:
MDL No:
Molecular Formula: C10H10N4
Molecular Weight: 186.2132

Identification/Properties


Computed Properties
Molecular Weight:
186.218g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
186.091g/mol
Monoisotopic Mass:
186.091g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
254
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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