| CAS Number | 2044902-62-5 |
| Catalog Number | AG01BXLK |
| Chemical Name | 4-Bromo-5-Fluoro-2,3-Dihydro-1H-Indole-2,3-Dione |
| IUPAC Name | 4-bromo-5-fluoro-1H-indole-2,3-dione |
| InChI | InChI=1S/C8H3BrFNO2/c9-6-3(10)1-2-4-5(6)7(12)8(13)11-4/h1-2H,(H,11,12,13) |
| InChI Key | BAWKJYZQQZETLE-UHFFFAOYSA-N |
| MDL Number | MFCD30487861 |
| Molecular Formula | C8H3BrFNO2 |
| Molecular Weight | 244.0173 |
| SMILES | O=C1NC2=C(C(Br)=C(F)C=C2)C1=O |
| Synonyms | 4-Bromo-5-fluoroindoline-2,3-dione,
2044902-62-5,
4-bromo-5-fluoro-2,3-dihydro-1H-indole-2,3-dione,
MFCD30487861,
AKOS033982935,
ZINC536949635,
CS-12589,
SY100498,
MFCD30487861 (95%),
Z2692095199,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.019g/mol |
| Monoisotopic Mass | 242.933g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number