| CAS Number | 1393442-23-3 |
| Catalog Number | AG009WWH(AGN-PC-0WAB7F) |
| Chemical Name | 5-Bromo-6,7-difluoro-2-methyl-1H-benzimidiazole |
| IUPAC Name | 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole |
| 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 |
| MDL Number | MFCD22383707 |
| Molecular Formula | C8H5BrF2N2 |
| Molecular Weight | 247.0395 |
| SMILES | Brc1cc2nc([nH]c2c(c1F)F)C |
| Synonyms | 5-Bromo-6,7-difluoro-2-methyl-1H-benzimidiazole,
1393442-23-3,
SCHEMBL20476867,
ZINC95495617,
AKOS026673183,
V2934,
C8H5BrF2N2,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.043g/mol |
| Monoisotopic Mass | 245.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number