5-Bromo-6,7-difluoro-2-methyl-1H-benzimidiazole - CAS 1393442-23-3
Catalog: |
BB071839 |
Product Name: |
5-Bromo-6,7-difluoro-2-methyl-1H-benzimidiazole |
CAS: |
1393442-23-3 |
Synonyms: |
5-Bromo-6,7-difluoro-2-methyl-1H-benzimidiazole; 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole; 1H-Benzimidazole, 5-bromo-6,7-difluoro-2-methyl- |
IUPAC Name: | 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole |
Description: | 5-Bromo-6,7-difluoro-2-methyl-1H-benzimidiazole |
Molecular Weight: | 247.04 |
Molecular Formula: | C8H5BrF2N2 |
Canonical SMILES: | CC1=NC2=C(C(=C(C=C2N1)Br)F)F |
InChI: | InChI=1S/C8H5BrF2N2/c1-3-12-5-2-4(9)6(10)7(11)8(5)13-3/h2H,1H3,(H,12,13) |
InChI Key: | OGBVQXWHNYNXAM-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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96042 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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