| CAS Number | 188532-99-2 |
| Catalog Number | AG019ZEW(AGN-PC-024UZQ) |
| Chemical Name | 3-Bromo-1-(2-methoxyphenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(2-methoxyphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H12BrNO2/c1-15-10-5-3-2-4-9(10)13-7-6-8(12)11(13)14/h2-5,8H,6-7H2,1H3 |
| InChI Key | WLECSZULVRGCDE-UHFFFAOYSA-N |
| MDL Number | MFCD16991883 |
| Molecular Formula | C11H12BrNO2 |
| Molecular Weight | 270.1225 |
| SMILES | COC1=C(N2C(=O)C(Br)CC2)C=CC=C1 |
| Synonyms | 3-bromo-1-(2-methoxyphenyl)pyrrolidin-2-one,
188532-99-2,
SCHEMBL8567660,
AKOS013100064,
NE16157,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.126g/mol |
| Monoisotopic Mass | 269.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number