1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile - CAS 1393442-44-8
Catalog: |
BB068845 |
Product Name: |
1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile |
CAS: |
1393442-44-8 |
Synonyms: |
1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile; 1-cyclohexylbenzotriazole-5-carbonitrile |
IUPAC Name: | 1-cyclohexylbenzotriazole-5-carbonitrile |
Description: | 1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile |
Molecular Weight: | 226.27 |
Molecular Formula: | C13H14N4 |
Canonical SMILES: | C1CCC(CC1)N2C3=C(C=C(C=C3)C#N)N=N2 |
InChI: | InChI=1S/C13H14N4/c14-9-10-6-7-13-12(8-10)15-16-17(13)11-4-2-1-3-5-11/h6-8,11H,1-5H2 |
InChI Key: | MJOUMNCIFSQQHC-UHFFFAOYSA-N |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.121846464 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.121846464 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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