| CAS Number | 7661-25-8 |
| Catalog Number | AG005JAI(AGN-PC-0NJ3XC) |
| Chemical Name | 1-(4-Bromophenyl)azetidin-2-one |
| IUPAC Name | 1-(4-bromophenyl)azetidin-2-one |
| InChI | InChI=1S/C9H8BrNO/c10-7-1-3-8(4-2-7)11-6-5-9(11)12/h1-4H,5-6H2 |
| InChI Key | OWNBBRYHFWKSFA-UHFFFAOYSA-N |
| MDL Number | MFCD21337972 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | BrC1=CC=C(N2C(=O)CC2)C=C1 |
| Synonyms | 1-(4-bromophenyl)azetidin-2-one,
7661-25-8,
2-Azetidinone, 1-(4-bromophenyl)-,
1-(4-bromophenyl)-2-azetidinone,
SCHEMBL4733957,
CTK2G7526,
DTXSID30499807,
1-(4-bromophenyl)-azetidin-2-one,
AKOS015906889,
ZINC104839547,
SC-53977,
I14-20596,
Z2678251647,
2-Azetidinone, 1-(p-bromophenyl)-,
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| Complexity | 187 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number