| CAS Number | 1487357-18-5 |
| Catalog Number | AG00J2GV |
| Chemical Name | 5-(5-(Trifluoromethyl)-1H-pyrazol-3-yl)furan-2-sulfonyl chloride |
| IUPAC Name | 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonyl chloride |
| InChI | InChI=1S/C8H4ClF3N2O3S/c9-18(15,16)7-2-1-5(17-7)4-3-6(14-13-4)8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | JKKPWWOZBLIASE-UHFFFAOYSA-N |
| MDL Number | MFCD18917024 |
| Molecular Formula | C8H4ClF3N2O3S |
| Molecular Weight | 300.6422 |
| SMILES | S(Cl)(=O)(=O)C1=CC=C(O1)C1=NNC(C(F)(F)F)=C1 |
| Synonyms | 1487357-18-5,
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-furansulfonyl chloride,
5-(5-(Trifluoromethyl)-1H-pyrazol-3-yl)furan-2-sulfonyl chloride,
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonyl chloride,
ZX-CM009548,
MFCD20502879,
ZINC100293694,
Y-8322,
4042597-25G,
5-[5-(Trifluoromethyl)-1H-pyrazol-3-yl]-2-furansulfonyl chloride, AldrichCPR,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.636g/mol |
| Monoisotopic Mass | 299.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number