| CAS Number | 1008361-72-5 |
| Catalog Number | AG0002ZO |
| Chemical Name | 5-Bromo-4-fluoro-1h-benzimidazole |
| IUPAC Name | 5-bromo-4-fluoro-1H-benzimidazole |
| InChI | InChI=1S/C7H4BrFN2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,(H,10,11) |
| InChI Key | LZMUWVAOXHJEHC-UHFFFAOYSA-N |
| MDL Number | MFCD22558087 |
| Molecular Formula | C7H4BrFN2 |
| Molecular Weight | 215.0225 |
| SMILES | BrC1=C(C2=C(NC=N2)C=C1)F |
| Synonyms | 1008361-72-5,
5-bromo-4-fluoro-1H-benzimidazole,
5-Bromo-4-fluoro-1H-benzo[d]imidazole,
5-bromo-4-fluoro-1H-1,3-benzodiazole,
SCHEMBL3045194,
SCHEMBL13137282,
LZMUWVAOXHJEHC-UHFFFAOYSA-N,
5-bromo-4-fluoro-1H-benzoimidazole,
MFCD22558087,
ZINC95828967,
AKOS027253249,
AS-43377,
AS-813/43501823,
Z2588063527,
1H-Benzimidazole, 6-bromo-7-fluoro-,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.025g/mol |
| Monoisotopic Mass | 213.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number