5-Bromo-1-cyclohexyl-6,7-difluoro-1,2,3-benzotriazole - CAS 1375068-80-6
Catalog: |
BB072228 |
Product Name: |
5-Bromo-1-cyclohexyl-6,7-difluoro-1,2,3-benzotriazole |
CAS: |
1375068-80-6 |
Synonyms: |
5-Bromo-1-cyclohexyl-6,7-difluoro-1,2,3-benzotriazole; 5-bromo-1-cyclohexyl-6,7-difluorobenzotriazole; 5-Bromo-1-cyclohexyl-6,7-difluoro-1H-benzotriazole |
IUPAC Name: | 5-bromo-1-cyclohexyl-6,7-difluorobenzotriazole |
Description: | 5-Bromo-1-cyclohexyl-6,7-difluoro-1,2,3-benzotriazole |
Molecular Weight: | 316.15 |
Molecular Formula: | C12H12BrF2N3 |
Canonical SMILES: | C1CCC(CC1)N2C3=C(C(=C(C=C3N=N2)Br)F)F |
InChI: | InChI=1S/C12H12BrF2N3/c13-8-6-9-12(11(15)10(8)14)18(17-16-9)7-4-2-1-3-5-7/h6-7H,1-5H2 |
InChI Key: | HGNWQMYWHZERSB-UHFFFAOYSA-N |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.01827 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.01827 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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