| CAS Number | 939759-24-7 |
| Catalog Number | AG00IHW2(AGN-PC-0WOFTS) |
| Chemical Name | Benzyl 3-tosyloxyazetidine-1-carboxylate |
| IUPAC Name | benzyl 3-(4-methylphenyl)sulfonyloxyazetidine-1-carboxylate |
| InChI | InChI=1S/C18H19NO5S/c1-14-7-9-17(10-8-14)25(21,22)24-16-11-19(12-16)18(20)23-13-15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3 |
| InChI Key | HRFVAHLDZVELFQ-UHFFFAOYSA-N |
| MDL Number | MFCD09026508 |
| Molecular Formula | C18H19NO5S |
| Molecular Weight | 361.4122 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OC1CN(C1)C(=O)OCc1ccccc1 |
| Synonyms | 939759-24-7,
Benzyl 3-tosyloxyazetidine-1-carboxylate,
Benzyl 3-(Tosyloxy)azetidine-1-carboxylate,
benzyl3-[(4-methylbenzenesulfonyl)oxy]azetidine-1-carboxylate,
ZINC19795771,
3-(toluene-4-sulfonyloxy)azetidine-1-carboxylic acid benzyl ester,
3-(TOLUENE-4-SULFONYLOXY)-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER,
|
| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.412g/mol |
| Monoisotopic Mass | 361.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number