| CAS Number | 21724-96-9 |
| Catalog Number | AG01BFHH(AGN-PC-02KVIB) |
| Chemical Name | 3-(4-Bromophenyl)-1H-pyrrole-2,5-dione |
| IUPAC Name | 3-(4-bromophenyl)pyrrole-2,5-dione |
| InChI | InChI=1S/C10H6BrNO2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-5H,(H,12,13,14) |
| InChI Key | YDIFCLVEBRJPOA-UHFFFAOYSA-N |
| MDL Number | MFCD19328381 |
| Molecular Formula | C10H6BrNO2 |
| Molecular Weight | 252.0641 |
| SMILES | O=C(C(C1=CC=C(Br)C=C1)=C2)NC2=O |
| Synonyms | 21724-96-9,
3-(4-bromophenyl)-1H-pyrrole-2,5-dione,
3-(4-bromophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione,
p-bromophenylmaleimide,
1H-Pyrrole-2,5-dione, 3-(4-bromophenyl)-,
SCHEMBL2712453,
YDIFCLVEBRJPOA-UHFFFAOYSA-N,
MFCD19328381,
ZINC49839175,
AKOS022351945,
NE21026,
AK540903,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.067g/mol |
| Monoisotopic Mass | 250.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number