| CAS Number | 1206970-11-7 |
| Catalog Number | AG00HFN3 |
| Chemical Name | 3-(Benzenesulfonyl)azetidine HCl |
| IUPAC Name | 3-(benzenesulfonyl)azetidine |
| InChI | InChI=1S/C9H11NO2S/c11-13(12,9-6-10-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2 |
| InChI Key | ZAKRJACOZVLRFD-UHFFFAOYSA-N |
| MDL Number | MFCD14585255 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | O=S(C1=CC=CC=C1)(C1CNC1)=O |
| Synonyms | 3-(benzenesulfonyl)azetidine,
1206970-11-7,
3-(phenylsulfonyl)azetidine,
Azetidine,3-(phenylsulfonyl)-,
DTXSID60704850,
ZINC95908784,
AKOS026672504,
BP-11579,
K-1472,
3-(Benzenesulfonyl)azetidine HCl,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number