| CAS Number | 1393441-99-0 |
| Catalog Number | AG009WX5(AGN-PC-0WAB7Q) |
| Chemical Name | 5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole |
| IUPAC Name | 5-bromo-6-fluoro-2-methyl-1-propylbenzimidazole |
| InChI | InChI=1S/C11H12BrFN2/c1-3-4-15-7(2)14-10-5-8(12)9(13)6-11(10)15/h5-6H,3-4H2,1-2H3 |
| InChI Key | HWRMBDGZJMYFKN-UHFFFAOYSA-N |
| MDL Number | MFCD22383713 |
| Molecular Formula | C11H12BrFN2 |
| Molecular Weight | 271.1288 |
| SMILES | Cc1nc2c(n1CCC)cc(c(c2)Br)F |
| Synonyms | 5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole,
1393441-99-0,
ZINC95495627,
AKOS026673171,
V2923,
C11H12BrFN2,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.133g/mol |
| Monoisotopic Mass | 270.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number