1-Cyclohexyl-6-fluoro-1,3-benzodiazole - CAS 1365271-29-9
Catalog: |
BB068847 |
Product Name: |
1-Cyclohexyl-6-fluoro-1,3-benzodiazole |
CAS: |
1365271-29-9 |
Synonyms: |
1-Cyclohexyl-6-fluoro-1,3-benzodiazole; 1-cyclohexyl-6-fluorobenzimidazole; 1-Cyclohexyl-6-fluoro-1H-benzimidazole |
IUPAC Name: | 1-cyclohexyl-6-fluorobenzimidazole |
Description: | 1-Cyclohexyl-6-fluoro-1,3-benzodiazole |
Molecular Weight: | 218.27 |
Molecular Formula: | C13H15FN2 |
Canonical SMILES: | C1CCC(CC1)N2C=NC3=C2C=C(C=C3)F |
InChI: | InChI=1S/C13H15FN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h6-9,11H,1-5H2 |
InChI Key: | VNVCGBCUQSDFOA-UHFFFAOYSA-N |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.12192665 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.12192665 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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