| CAS Number | 1703008-09-6 |
| Catalog Number | AG01B3TA |
| Chemical Name | 1-phenyl-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 2-phenylpyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H |
| InChI Key | QJYPNCIPUUCDFM-UHFFFAOYSA-N |
| MDL Number | MFCD31718378 |
| Molecular Formula | C9H7ClN2O2S |
| Molecular Weight | 242.6821 |
| SMILES | ClS(C1N(C2=CC=CC=C2)N=CC=1)(=O)=O |
| Synonyms | 1-phenyl-1H-pyrazole-5-sulfonyl chloride,
1703008-09-6,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.677g/mol |
| Monoisotopic Mass | 241.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number