| CAS Number | 140480-94-0 |
| Catalog Number | AG01DW0K(AGN-PC-0DVA31) |
| Chemical Name | 1-[(3-bromophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione |
| IUPAC Name | 1-[(3-bromophenyl)methyl]pyrrole-2,5-dione |
| InChI | InChI=1S/C11H8BrNO2/c12-9-3-1-2-8(6-9)7-13-10(14)4-5-11(13)15/h1-6H,7H2 |
| InChI Key | VFOWGSSDYZJMOT-UHFFFAOYSA-N |
| MDL Number | MFCD14694479 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | BrC1=CC(CN2C(=O)C=CC2=O)=CC=C1 |
| Synonyms | 1-(3-Bromobenzyl)-1H-pyrrole-2,5-dione,
140480-94-0,
SCHEMBL6388547,
1-[(3-bromophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.094g/mol |
| Monoisotopic Mass | 264.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number