6-Chloro-4,5-difluoro-3H-1,3-benzodiazole - CAS 217951-45-6
Catalog: |
BB069906 |
Product Name: |
6-Chloro-4,5-difluoro-3H-1,3-benzodiazole |
CAS: |
217951-45-6 |
Synonyms: |
6-Chloro-4,5-difluoro-3H-1,3-benzodiazole; 6-chloro-4,5-difluoro-1H-benzimidazole |
IUPAC Name: | 6-chloro-4,5-difluoro-1H-benzimidazole |
Description: | 6-Chloro-4,5-difluoro-3H-1,3-benzodiazole |
Molecular Weight: | 188.56 |
Molecular Formula: | C7H3ClF2N2 |
Canonical SMILES: | C1=C2C(=C(C(=C1Cl)F)F)N=CN2 |
InChI: | InChI=1S/C7H3ClF2N2/c8-3-1-4-7(12-2-11-4)6(10)5(3)9/h1-2H,(H,11,12) |
InChI Key: | XDGXENBDHSXUGQ-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.9952821 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.9952821 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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