Catalog | OFC1353778401 |
CAS | 1353778-40-1 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1H-Benzimidazole, 2-(bromodifluoromethyl)-6-chloro- |
MDL Number | MFCD31922505 |
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IUPAC Name | 2-[bromo(difluoro)methyl]-6-chloro-1H-benzimidazole |
InChI | InChI=1S/C8H4BrClF2N2/c9-8(11,12)7-13-5-2-1-4(10)3-6(5)14-7/h1-3H,(H,13,14) |
InChI Key | JDDVBFHFHGYLJY-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC2=C(C=C1Cl)NC(=N2)C(F)(F)Br |
Molecular Formula | C8H4BrClF2N2 |
Molecular Weight | 281.48 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Exact Mass | 279.92144 g/mol |
Monoisotopic Mass | 279.92144 g/mol |
Topological Polar Surface Area | 28.7Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 229 |
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