| CAS Number | 958651-12-2 |
| Catalog Number | AG01E3S0 |
| Chemical Name | 3-cyclopropylbenzene-1-sulfonyl chloride |
| IUPAC Name | 3-cyclopropylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H9ClO2S/c10-13(11,12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2 |
| InChI Key | SOBFLTOURJYMBV-UHFFFAOYSA-N |
| MDL Number | MFCD19201052 |
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.6846 |
| SMILES | C1(CC1)C=1C=C(C=CC1)S(=O)(=O)Cl |
| Synonyms | 3-Cyclopropyl-benzenesulfonyl chloride,
958651-12-2,
Benzenesulfonyl chloride, 3-cyclopropyl-,
SCHEMBL957445,
SOBFLTOURJYMBV-UHFFFAOYSA-N,
AKOS006334007,
3-cyclopropylbenzene-1-sulfonyl chloride,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.679g/mol |
| Monoisotopic Mass | 216.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number