| CAS Number | 1350521-74-2 |
| Catalog Number | AG00J2HV |
| Chemical Name | 5-(1H-pyrazol-5-yl)furan-2-sulfonyl chloride |
| IUPAC Name | 5-(1H-pyrazol-5-yl)furan-2-sulfonyl chloride |
| InChI | InChI=1S/C7H5ClN2O3S/c8-14(11,12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10) |
| InChI Key | FCVPAGYFRDXMSS-UHFFFAOYSA-N |
| MDL Number | MFCD15729912 |
| Molecular Formula | C7H5ClN2O3S |
| Molecular Weight | 232.6442 |
| SMILES | S(Cl)(=O)(=O)C1=CC=C(C2=CC=NN2)O1 |
| Synonyms | 5-(1H-pyrazol-5-yl)furan-2-sulfonyl chloride,
5-(1H-pyrazol-5-yl)-2-furansulfonyl chloride,
1350521-74-2,
BB_SC-10548,
ZX-CM009683,
BBL032536,
FCH927836,
MFCD20502896,
STL373220,
AKOS006336637,
ZINC100104753,
MCULE-6775495778,
Y-8331,
4043053-25G,
5-(1H-Pyrazol-5-yl)-2-furansulfonyl chloride, AldrichCPR,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.638g/mol |
| Monoisotopic Mass | 231.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number