| CAS Number | 1934470-94-6 |
| Catalog Number | AG01BKGU |
| Chemical Name | 1-(2-Amino-5-bromo-4-fluorophenyl)ethanone |
| IUPAC Name | 1-(2-amino-5-bromo-4-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H7BrFNO/c1-4(12)5-2-6(9)7(10)3-8(5)11/h2-3H,11H2,1H3 |
| InChI Key | MCKAIVUMHVLUIO-UHFFFAOYSA-N |
| MDL Number | MFCD28968025 |
| Molecular Formula | C8H7BrFNO |
| Molecular Weight | 232.0497 |
| SMILES | CC(C1=CC(Br)=C(F)C=C1N)=O |
| Synonyms | 1-(2-Amino-5-bromo-4-fluorophenyl)ethanone,
1934470-94-6,
AKOS030626442,
ZINC299889633,
FCH4197251,
AX8275582,
1-(2-AMINO-5-BROMO-4-FLUORO-PHENYL)-ETHANONE,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.052g/mol |
| Monoisotopic Mass | 230.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number