1-t-Butyl-6,7-difluorobenzimidazole - CAS 1314987-35-3
Catalog: |
BB062162 |
Product Name: |
1-t-Butyl-6,7-difluorobenzimidazole |
CAS: |
1314987-35-3 |
Synonyms: |
1-t-Butyl-6,7-difluorobenzimidazole; 1-(tert-Butyl)-6,7-difluoro-1H-benzo[d]imidazole; 1-tert-butyl-6,7-difluorobenzimidazole; 1-TERT-BUTYL-6,7-DIFLUORO-1,3-BENZODIAZOLE; 1-tert-Butyl-6,7-difluoro-1H-benzimidazole |
IUPAC Name: | 1-tert-butyl-6,7-difluorobenzimidazole |
Description: | 1-t-Butyl-6,7-difluorobenzimidazole |
Molecular Weight: | 210.22 |
Molecular Formula: | C11H12F2N2 |
Canonical SMILES: | CC(C)(C)N1C=NC2=C1C(=C(C=C2)F)F |
InChI: | InChI=1S/C11H12F2N2/c1-11(2,3)15-6-14-8-5-4-7(12)9(13)10(8)15/h4-6H,1-3H3 |
InChI Key: | IIINQDFVLFHIGO-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: | 210.09685472 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.09685472 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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