| CAS Number | 1196153-59-9 |
| Catalog Number | AG01BVNI |
| Chemical Name | 1,1-Dimethylethyl N-[3-(chlorosulfonyl)propyl]carbamate |
| IUPAC Name | tert-butyl N-(3-chlorosulfonylpropyl)carbamate |
| InChI | InChI=1S/C8H16ClNO4S/c1-8(2,3)14-7(11)10-5-4-6-15(9,12)13/h4-6H2,1-3H3,(H,10,11) |
| InChI Key | OMSPDJMNLOWPPG-UHFFFAOYSA-N |
| MDL Number | MFCD13190123 |
| Molecular Formula | C8H16ClNO4S |
| Molecular Weight | 257.7349 |
| SMILES | CC(C)(C)OC(=O)NCCCS(=O)(=O)Cl |
| Synonyms | 1196153-59-9,
tert-Butyl (3-(chlorosulfonyl)propyl)carbamate,
(3-CHLOROSULFONYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER,
ZINC103595350,
AB69801,
tert-butyl N-[3-(chlorosulfonyl)propyl]carbamate,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.729g/mol |
| Monoisotopic Mass | 257.049g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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