5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one - CAS 1403483-67-9
Catalog: |
BB071244 |
Product Name: |
5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one |
CAS: |
1403483-67-9 |
Synonyms: |
5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one; 6-bromo-3-tert-butyl-5-fluoro-1H-benzimidazol-2-one; 5-Bromo-1-tert-butyl-6-fluoro-1H-benzimidazol-2-ol; 2H-Benzimidazol-2-one, 5-bromo-1-(1,1-dimethylethyl)-6-fluoro-1,3-dihydro- |
IUPAC Name: | 6-bromo-3-tert-butyl-5-fluoro-1H-benzimidazol-2-one |
Description: | 5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one |
Molecular Weight: | 287.13 |
Molecular Formula: | C11H12BrFN2O |
Canonical SMILES: | CC(C)(C)N1C2=CC(=C(C=C2NC1=O)Br)F |
InChI: | InChI=1S/C11H12BrFN2O/c1-11(2,3)15-9-5-7(13)6(12)4-8(9)14-10(15)16/h4-5H,1-3H3,(H,14,16) |
InChI Key: | KFQOICSLNWFKDR-UHFFFAOYSA-N |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.0117 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.0117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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