| CAS Number | 241825-88-7 |
| Catalog Number | AG00C2PI(AGN-PC-0WH3BB) |
| Chemical Name | 7-(4-BroMobenzoyl)- |
| IUPAC Name | 7-(4-bromobenzoyl)-1H-indole-2,3-dione |
| InChI | InChI=1S/C15H8BrNO3/c16-9-6-4-8(5-7-9)13(18)10-2-1-3-11-12(10)17-15(20)14(11)19/h1-7H,(H,17,19,20) |
| InChI Key | OKYHDBOEDYARAM-UHFFFAOYSA-N |
| MDL Number | MFCD23702170 |
| Molecular Formula | C15H8BrNO3 |
| Molecular Weight | 330.1329 |
| SMILES | BrC1=CC=C(C(=O)C=2C=CC=C3C(C(NC23)=O)=O)C=C1 |
| Synonyms | AHR 11652,
241825-88-7,
7-(4-Bromobenzoyl)-1H-indole-2,3-dione,
SCHEMBL16796990,
DTXSID50746966,
ZINC77270692,
FT-0661443,
Bromfenac Impurity (7-(4-bromobenzoyl)indoline-2,3-dione),
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.137g/mol |
| Monoisotopic Mass | 328.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number