1-Phenyl-1H-benzo[d][1,2,3]triazole - CAS 883-39-6
Catalog: |
BB058261 |
Product Name: |
1-Phenyl-1H-benzo[d][1,2,3]triazole |
CAS: |
883-39-6 |
Synonyms: |
1-Phenyl-1H-benzo[d][1,2,3]triazole; 1-Phenylbenzotriazole; 1-Phenyl-1,2,3-benzotriazole; 1H-Benzotriazole, 1-phenyl-; 1-Phenyl-1H-benzotriazole; 1-Phenyl-1H-1,2,3-benzotriazole; 1 -Phenylbenzotriazole |
IUPAC Name: | 1-phenylbenzotriazole |
Description: | 1-Phenyl-1H-benzo[d][1,2,3]triazole is a reagent used in the prepartion of possible surrogates for kobayashi's aryne precursors. |
Molecular Weight: | 195.21 |
Molecular Formula: | C12H9N3 |
Canonical SMILES: | C1=CC=C(C=C1)N2C3=CC=CC=C3N=N2 |
InChI: | InChI=1S/C12H9N3/c1-2-6-10(7-3-1)15-12-9-5-4-8-11(12)13-14-15/h1-9H |
InChI Key: | ZBJLUVHQIPUCPM-UHFFFAOYSA-N |
Solubility: | 3.9 ug/ml |
References: | Muraca, A. et al. ACS Omega, 5, 2440 (2020). |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0796473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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