| CAS Number | 1196157-57-9 |
| Catalog Number | AG01DV25 |
| Chemical Name | benzyl N-[3-(chlorosulfonyl)propyl]carbamate |
| IUPAC Name | benzyl N-(3-chlorosulfonylpropyl)carbamate |
| InChI | InChI=1S/C11H14ClNO4S/c12-18(15,16)8-4-7-13-11(14)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14) |
| InChI Key | JXMZLYRHQPHROO-UHFFFAOYSA-N |
| MDL Number | MFCD13190122 |
| Molecular Formula | C11H14ClNO4S |
| Molecular Weight | 291.7512 |
| SMILES | ClS(CCCNC(OCC1=CC=CC=C1)=O)(=O)=O |
| Synonyms | 1196157-57-9,
(3-CHLOROSULFONYL-PROPYL)-CARBAMIC ACID BENZYL ESTER,
BENZYL 3-(CHLOROSULFONYL)PROPYLCARBAMATE,
AB69799,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.746g/mol |
| Monoisotopic Mass | 291.033g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number