| CAS Number | 7661-23-6 |
| Catalog Number | AG008PTZ(AGN-PC-0JDZYT) |
| Chemical Name | 2-Azetidinone, 1-(2-bromophenyl)- |
| IUPAC Name | 1-(2-bromophenyl)azetidin-2-one |
| InChI | InChI=1S/C9H8BrNO/c10-7-3-1-2-4-8(7)11-6-5-9(11)12/h1-4H,5-6H2 |
| InChI Key | RJDIFUOAROBBQI-UHFFFAOYSA-N |
| MDL Number | MFCD28246403 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | BrC1=C(C=CC=C1)N1C(CC1)=O |
| Synonyms | 1-(2-Bromophenyl)azetidin-2-one,
7661-23-6,
2-Azetidinone, 1-(2-bromophenyl)-,
CTK2G7527,
DTXSID20824381,
ZINC169391385,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number