| CAS Number | 756876-22-9 |
| Catalog Number | AG01DWNH(AGN-PC-0CKGZG) |
| Chemical Name | 1-[(2-Bromophenyl)methyl]pyrrolidin-2-one |
| IUPAC Name | 1-[(2-bromophenyl)methyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H12BrNO/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(13)14/h1-2,4-5H,3,6-8H2 |
| InChI Key | KNWGNWQUXHKCFZ-UHFFFAOYSA-N |
| MDL Number | MFCD14661170 |
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 254.1231 |
| SMILES | BrC1=C(CN2C(=O)CCC2)C=CC=C1 |
| Synonyms | 1-[(2-bromophenyl)methyl]pyrrolidin-2-one,
756876-22-9,
SCHEMBL14458691,
AKOS010674277,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.127g/mol |
| Monoisotopic Mass | 253.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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