5-Bromo-1-cyclohexyl-6-fluoro-2-methyl-1,3-benzodiazole - CAS 1400644-59-8
Catalog: |
BB072109 |
Product Name: |
5-Bromo-1-cyclohexyl-6-fluoro-2-methyl-1,3-benzodiazole |
CAS: |
1400644-59-8 |
Synonyms: |
5-BROMO-1-CYCLOHEXYL-6-FLUORO-2-METHYL-1,3-BENZODIAZOLE; 5-bromo-1-cyclohexyl-6-fluoro-2-methylbenzimidazole; 1H-Benzimidazole, 5-bromo-1-cyclohexyl-6-fluoro-2-methyl- |
IUPAC Name: | 5-bromo-1-cyclohexyl-6-fluoro-2-methylbenzimidazole |
Description: | 5-Bromo-1-cyclohexyl-6-fluoro-2-methyl-1,3-benzodiazole |
Molecular Weight: | 311.19 |
Molecular Formula: | C14H16BrFN2 |
Canonical SMILES: | CC1=NC2=CC(=C(C=C2N1C3CCCCC3)F)Br |
InChI: | InChI=1S/C14H16BrFN2/c1-9-17-13-7-11(15)12(16)8-14(13)18(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3 |
InChI Key: | KOSGUAKYZFFIMB-UHFFFAOYSA-N |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.04809 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.04809 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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