| CAS Number | 1862787-06-1 |
| Catalog Number | AG01B63X |
| Chemical Name | 4-(4-Bromophenyl)-3,3-dimethylazetidin-2-one |
| IUPAC Name | 4-(4-bromophenyl)-3,3-dimethylazetidin-2-one |
| InChI | InChI=1S/C11H12BrNO/c1-11(2)9(13-10(11)14)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,13,14) |
| InChI Key | GOYFRJCGKBXHGA-UHFFFAOYSA-N |
| MDL Number | MFCD30181259 |
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 254.1231 |
| SMILES | CC1(C(=O)NC1C1=CC=C(Br)C=C1)C |
| Synonyms | 4-(4-bromophenyl)-3,3-dimethylazetidin-2-one,
1862787-06-1,
|
| Complexity | 244 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.127g/mol |
| Monoisotopic Mass | 253.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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