| CAS Number | 1393441-81-0 |
| Catalog Number | AG009WVI(AGN-PC-0WA4BP) |
| Chemical Name | 1-Benzyl-5-bromo-6-fluoro-2-methyl-1,3-benzodiazole |
| IUPAC Name | 1-benzyl-5-bromo-6-fluoro-2-methylbenzimidazole |
| InChI | InChI=1S/C15H12BrFN2/c1-10-18-14-7-12(16)13(17)8-15(14)19(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 |
| InChI Key | CBYINLJBKABPJX-UHFFFAOYSA-N |
| MDL Number | MFCD22383697 |
| Molecular Formula | C15H12BrFN2 |
| Molecular Weight | 319.1716 |
| SMILES | Brc1cc2nc(n(c2cc1F)Cc1ccccc1)C |
| Synonyms | 1-BENZYL-5-BROMO-6-FLUORO-2-METHYL-1,3-BENZODIAZOLE,
1393441-81-0,
C15H12BrFN2,
KM3864,
ZINC95495588,
V2911,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.177g/mol |
| Monoisotopic Mass | 318.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number