| CAS Number | 1291374-78-1 |
| Catalog Number | AG019S2D |
| Chemical Name | 1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-(4-chlorophenyl)-5-methylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C10H8Cl2N2O2S/c1-7-10(17(12,15)16)6-13-14(7)9-4-2-8(11)3-5-9/h2-6H,1H3 |
| InChI Key | JEJTXRNNMBJNGU-UHFFFAOYSA-N |
| MDL Number | MFCD16212678 |
| Molecular Formula | C10H8Cl2N2O2S |
| Molecular Weight | 291.1537 |
| SMILES | CC1N(C2=CC=C(Cl)C=C2)N=CC=1S(Cl)(=O)=O |
| Synonyms | 1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride,
1291374-78-1,
ZINC100648543,
NE33635,
EN300-91529,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.146g/mol |
| Monoisotopic Mass | 289.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number