| CAS Number | 1291487-17-6 |
| Catalog Number | AG000YVS(AGN-PC-0AC12A) |
| Chemical Name | 2-Pyrrolidinone, 1-(4-bromo-3-chlorophenyl)- |
| IUPAC Name | 1-(4-bromo-3-chlorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9BrClNO/c11-8-4-3-7(6-9(8)12)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2 |
| InChI Key | HAYOWYDCYKXKDO-UHFFFAOYSA-N |
| MDL Number | MFCD18837619 |
| Molecular Formula | C10H9BrClNO |
| Molecular Weight | 274.5416 |
| SMILES | BrC1=CC=C(C=C1Cl)N1CCCC1=O |
| Synonyms | 1-(4-Bromo-3-chlorophenyl)pyrrolidin-2-one,
1291487-17-6,
ACMC-209bg5,
CTK8B0015,
DTXSID10716645,
ANW-19107,
MFCD18837619,
ZINC74934314,
AKOS015898048,
CJ-21732,
AJ-121375,
TC-107852,
ST24021092,
Z9460,
2-Pyrrolidinone, 1-(4-bromo-3-chlorophenyl)-,
A-3147,
I11-647,
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