5-Bromo-1-butyl-6-fluoro-2-methyl-1,3-benzodiazole - CAS 1400644-36-1
Catalog: |
BB071476 |
Product Name: |
5-Bromo-1-butyl-6-fluoro-2-methyl-1,3-benzodiazole |
CAS: |
1400644-36-1 |
Synonyms: |
5-Bromo-1-butyl-6-fluoro-2-methyl-1,3-benzodiazole; 5-bromo-1-butyl-6-fluoro-2-methylbenzimidazole; 5-bromo-1-butyl-6-fluoro-2-methyl-1H-1,3-benzodiazole |
IUPAC Name: | 5-bromo-1-butyl-6-fluoro-2-methylbenzimidazole |
Description: | 5-Bromo-1-butyl-6-fluoro-2-methyl-1,3-benzodiazole |
Molecular Weight: | 285.15 |
Molecular Formula: | C12H14BrFN2 |
Canonical SMILES: | CCCCN1C(=NC2=CC(=C(C=C21)F)Br)C |
InChI: | InChI=1S/C12H14BrFN2/c1-3-4-5-16-8(2)15-11-6-9(13)10(14)7-12(11)16/h6-7H,3-5H2,1-2H3 |
InChI Key: | KMQYSSOUVRFWIW-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.03244 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.03244 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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