| CAS Number | 1177349-87-9 |
| Catalog Number | AG01B2WD |
| Chemical Name | 1-cyclohexyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-cyclohexylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H13ClN2O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h6-8H,1-5H2 |
| InChI Key | MRPCTQICMIZOMU-UHFFFAOYSA-N |
| MDL Number | MFCD09965809 |
| Molecular Formula | C9H13ClN2O2S |
| Molecular Weight | 248.7297 |
| SMILES | ClS(C1=CN(C2CCCCC2)N=C1)(=O)=O |
| Synonyms | 1-cyclohexyl-1H-pyrazole-4-sulfonyl chloride,
1177349-87-9,
AKOS010134053,
ZINC103116001,
F2169-0658,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.725g/mol |
| Monoisotopic Mass | 248.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number