| CAS Number | 1280786-79-9 |
| Catalog Number | AG000XRJ(AGN-PC-09PZDK) |
| Chemical Name | 1-(2-Bromo-4-Chlorophenyl)Pyrrolidin-2-One |
| IUPAC Name | 1-(2-bromo-4-chlorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrClNO/c11-8-6-7(12)3-4-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2 |
| InChI Key | LHDRAGZVVAMPCS-UHFFFAOYSA-N |
| MDL Number | MFCD18434443 |
| Molecular Formula | C10H9BrClNO |
| Molecular Weight | 274.5416 |
| SMILES | Clc1ccc(c(c1)Br)N1CCCC1=O |
| Synonyms | 1-(2-Bromo-4-chlorophenyl)pyrrolidin-2-one,
1280786-79-9,
ACMC-209be3,
CTK8A9976,
DTXSID00682022,
ANW-19033,
MFCD18434443,
ZINC65337169,
AKOS015898049,
AJ-115024,
TC-107778,
Z9405,
2-Pyrrolidinone, 1-(2-bromo-4-chlorophenyl)-,
A-3502,
I11-649,
C10H9BrClNO,
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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 | 272.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.542g/mol |
| Monoisotopic Mass | 272.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number