| CAS Number | 927-92-4 |
| Catalog Number | AG019D37(AGN-PC-0NC3U9) |
| Chemical Name | Heptane-1-sulfonyl chloride |
| IUPAC Name | heptane-1-sulfonyl chloride |
| InChI | InChI=1S/C7H15ClO2S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3 |
| InChI Key | HXIUMEKDVYLMOK-UHFFFAOYSA-N |
| MDL Number | MFCD12783398 |
| Molecular Formula | C7H15ClO2S |
| Molecular Weight | 198.7108 |
| SMILES | CCCCCCCS(=O)(=O)Cl |
| Synonyms | Heptane-1-sulfonyl Chloride,
927-92-4,
1-Heptanesulfonyl chloride,
Heptylsulfochlorid,
AC1Q2WDK,
n-heptanesulfonyl chloride,
SCHEMBL692730,
1-Heptanesulfonic acid chloride,
CTK6E1011,
HXIUMEKDVYLMOK-UHFFFAOYSA-N,
AKOS010296554,
ZINC100608869,
NE21995,
EN300-61276,
CID10878141,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.705g/mol |
| Monoisotopic Mass | 198.048g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number