| CAS Number | 1153041-98-5 |
| Catalog Number | AG019W7Z |
| Chemical Name | 1-benzyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-benzylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C10H9ClN2O2S/c11-16(14,15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 |
| InChI Key | HGMRBJPAOYCPEM-UHFFFAOYSA-N |
| MDL Number | MFCD12192693 |
| Molecular Formula | C10H9ClN2O2S |
| Molecular Weight | 256.7087 |
| SMILES | ClS(C1=CN(CC2=CC=CC=C2)N=C1)(=O)=O |
| Synonyms | 1-benzyl-1H-pyrazole-4-sulfonyl chloride,
1153041-98-5,
AC1Q3VN0,
SCHEMBL20772221,
CTK6H8785,
MFCD12192693,
ZINC59312421,
NE39065,
EN300-50985,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.704g/mol |
| Monoisotopic Mass | 256.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number