| CAS Number | 893614-85-2 |
| Catalog Number | AG00ISW4(AGN-PC-0WB0ER) |
| Chemical Name | 1-(4-Bromo-2-fluorophenyl)-1H-pyrrole-2,5-dione |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)pyrrole-2,5-dione |
| InChI | InChI=1S/C10H5BrFNO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5H |
| InChI Key | UZVMHIFRABEFJC-UHFFFAOYSA-N |
| MDL Number | MFCD08277325 |
| Molecular Formula | C10H5BrFNO2 |
| Molecular Weight | 270.0546 |
| SMILES | [Br]C2(=CC(F)=C(N1(C(=O)C=CC1=O))C=C2) |
| Synonyms | 1-(4-Bromo-2-fluorophenyl)-1H-pyrrole-2,5-dione,
893614-85-2,
1-(4-bromo-2-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione,
bromofluorophenylpyrroledione,
CTK5I6817,
JS-192C,
KS-000026ZX,
ZINC8730073,
MFCD08277325,
AKOS000173438,
MCULE-2626464759,
RP15111,
AJ-59026,
TR-065055,
1-(4-bromo-2-fluorophenyl)pyrrole-2,5-dione,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.057g/mol |
| Monoisotopic Mass | 268.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number