Catalog | OFC1420800152 |
CAS | 1420800-15-2 |
Category | Fluorinated Benzimidazoles |
Purity | 97% |
MDL Number | MFCD22689098 |
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IUPAC Name | 5-bromo-6-fluoro-2-methyl-1H-benzimidazole;hydrochloride |
InChI | InChI=1S/C8H6BrFN2.ClH/c1-4-11-7-2-5(9)6(10)3-8(7)12-4;/h2-3H,1H3,(H,11,12);1H |
InChI Key | FZJIBHNPKKCPFP-UHFFFAOYSA-N |
Isomeric SMILES | CC1=NC2=CC(=C(C=C2N1)F)Br.Cl |
Molecular Formula | C8H7BrClFN2 |
Molecular Weight | 265.51 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 263.94652 g/mol |
Monoisotopic Mass | 263.94652 g/mol |
Topological Polar Surface Area | 28.7Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 178 |
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