5-Bromo-1-ethyl-6-fluoro-2-methylbenzodiazole - CAS 1381944-74-6
Catalog: |
BB061925 |
Product Name: |
5-Bromo-1-ethyl-6-fluoro-2-methylbenzodiazole |
CAS: |
1381944-74-6 |
Synonyms: |
5-Bromo-1-ethyl-6-fluoro-2-methylbenzodiazole; 1H-Benzimidazole, 5-bromo-1-ethyl-6-fluoro-2-methyl-; 5-bromo-1-ethyl-6-fluoro-2-methyl-1H-1,3-benzodiazole |
IUPAC Name: | 5-bromo-1-ethyl-6-fluoro-2-methylbenzimidazole |
Description: | 5-Bromo-1-ethyl-6-fluoro-2-methylbenzodiazole |
Molecular Weight: | 259.12 |
Molecular Formula: | C10H12BrFN2 |
Canonical SMILES: | CCN1C(=NC2=CC(=C(C=C21)F)Br)C |
InChI: | InChI=1S/C10H10BrFN2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3 |
InChI Key: | VGGPNTMICVOHLJ-UHFFFAOYSA-N |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00114 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00114 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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