| CAS Number | 1037150-18-7 |
| Catalog Number | AG007X6N(AGN-PC-05FICD) |
| Chemical Name | 1-(2-Bromo-4-fluorophenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(2-bromo-4-fluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrFNO/c11-8-6-7(12)3-4-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2 |
| InChI Key | HMLLWSUZGBUNGI-UHFFFAOYSA-N |
| MDL Number | MFCD11189340 |
| Molecular Formula | C10H9BrFNO |
| Molecular Weight | 258.0870 |
| SMILES | BrC1=CC(=CC=C1N1CCCC1=O)F |
| Synonyms | 1-(2-Bromo-4-fluorophenyl)pyrrolidin-2-one,
1037150-18-7,
ACMC-20988z,
CTK8A9071,
DTXSID30651827,
ANW-14961,
MFCD11189340,
ZINC20430875,
AKOS009265759,
AJ-77502,
TC-103706,
1-(2-Bromo-4-fluorophenyl)-2-pyrrolidinone,
ST24020990,
Z6689,
A-3504,
I11-650,
C10H9BrFNO,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.09g/mol |
| Monoisotopic Mass | 256.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number