5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole - CAS 1381944-60-0
Catalog: |
BB071838 |
Product Name: |
5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole |
CAS: |
1381944-60-0 |
Synonyms: |
5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole; 5-bromo-6,7-difluoro-1-methylbenzimidazole |
IUPAC Name: | 5-bromo-6,7-difluoro-1-methylbenzimidazole |
Description: | 5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole |
Molecular Weight: | 247.04 |
Molecular Formula: | C8H5BrF2N2 |
Canonical SMILES: | CN1C=NC2=CC(=C(C(=C21)F)F)Br |
InChI: | InChI=1S/C8H5BrF2N2/c1-13-3-12-5-2-4(9)6(10)7(11)8(5)13/h2-3H,1H3 |
InChI Key: | ZGZACHGAOZFXKQ-UHFFFAOYSA-N |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96042 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96042 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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