1-Hexadecanesulfonyl chloride
PubChem CID: 96923
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| Compound Synonyms | 1-Hexadecanesulfonyl chloride, 38775-38-1, hexadecane-1-sulfonyl chloride, Hexadecylsulfonyl chloride, 1-Hexadecanesulfonylchloride, EINECS 254-123-1, NSC 93798, 1-hexadecylsulfonyl chloride, 1-Hexadecanesulphonyl chloride, n-Hexadecane sulfonyl chloride, DTXSID2068139, Sulfonyl chloride, 1-hexadecane-, Hexadecane-1-sulphonyl chloride, MFCD00007459, hexadecanesulfonylchloride, hexadecanesulfonyl chloride, cetyl sulphonic acid chloride, SCHEMBL744901, DTXCID6039558, NBA77538, NSC93798, 1-Hexadecanesulfonyl chloride, 98%, NSC-93798, AKOS016016483, PD195070, DB-049330, NS00058970, G66579 |
|---|---|
| Topological Polar Surface Area | 42.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecane-1-sulfonyl chloride |
| Prediction Hob | 0.0 |
| Xlogp | 8.1 |
| Molecular Formula | C16H33ClO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | YOSVFFVBSPQTTP-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.217 |
| Rotatable Bond Count | 15.0 |
| Logd | 7.233 |
| Compound Name | 1-Hexadecanesulfonyl chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 325.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9929396 |
| Inchi | InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCS(=O)(=O)Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients