| CAS Number | 1094289-44-7 |
| Catalog Number | AG01A9IV |
| Chemical Name | 3-(4-bromophenyl)-3-methylpyrrolidine-2,5-dione |
| IUPAC Name | 3-(4-bromophenyl)-3-methylpyrrolidine-2,5-dione |
| InChI | InChI=1S/C11H10BrNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15) |
| InChI Key | CWULAGWRHCWUDL-UHFFFAOYSA-N |
| MDL Number | MFCD11207821 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | CC1(C2=CC=C(Br)C=C2)C(=O)NC(=O)C1 |
| Synonyms | 3-(4-bromophenyl)-3-methylpyrrolidine-2,5-dione,
1094289-44-7,
AC1Q2CWF,
AKOS008124266,
MCULE-5535616444,
NE29960,
EN300-65223,
Z1245635807,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number