1-Cyclohexyl-6,7-difluoro-1,2,3-benzotriazole - CAS 1365271-73-3
Catalog: |
BB068850 |
Product Name: |
1-Cyclohexyl-6,7-difluoro-1,2,3-benzotriazole |
CAS: |
1365271-73-3 |
Synonyms: |
1-Cyclohexyl-6,7-difluoro-1,2,3-benzotriazole; 1-cyclohexyl-6,7-difluorobenzotriazole; 1-Cyclohexyl-6,7-difluoro-1H-benzotriazole |
IUPAC Name: | 1-cyclohexyl-6,7-difluorobenzotriazole |
Description: | 1-Cyclohexyl-6,7-difluoro-1,2,3-benzotriazole |
Molecular Weight: | 237.25 |
Molecular Formula: | C12H13F2N3 |
Canonical SMILES: | C1CCC(CC1)N2C3=C(C=CC(=C3F)F)N=N2 |
InChI: | InChI=1S/C12H13F2N3/c13-9-6-7-10-12(11(9)14)17(16-15-10)8-4-2-1-3-5-8/h6-8H,1-5H2 |
InChI Key: | YUONRARSLNXSMC-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.10775375 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.10775375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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