1-Butyl-6,7-difluoro-2-methylbenzimiodazole - CAS 1375069-00-3
Catalog: |
BB070974 |
Product Name: |
1-Butyl-6,7-difluoro-2-methylbenzimiodazole |
CAS: |
1375069-00-3 |
Synonyms: |
1-Butyl-6,7-difluoro-2-methylbenzimiodazole; 1-butyl-6,7-difluoro-2-methylbenzimidazole; 1H-Benzimidazole, 1-butyl-6,7-difluoro-2-methyl- |
IUPAC Name: | 1-butyl-6,7-difluoro-2-methylbenzimidazole |
Description: | 1-Butyl-6,7-difluoro-2-methylbenzimiodazole |
Molecular Weight: | 224.25 |
Molecular Formula: | C12H14F2N2 |
Canonical SMILES: | CCCCN1C(=NC2=C1C(=C(C=C2)F)F)C |
InChI: | InChI=1S/C12H14F2N2/c1-3-4-7-16-8(2)15-10-6-5-9(13)11(14)12(10)16/h5-6H,3-4,7H2,1-2H3 |
InChI Key: | VYMCBFDEAYUOSM-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.11250478 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.11250478 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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