| CAS Number | 2044871-72-7 |
| Catalog Number | AG01B79D |
| Chemical Name | 3-[4-(Trifluoromethyl)phenyl]-1,2-oxazole-5-sulfonyl chloride |
| IUPAC Name | 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-sulfonyl chloride |
| InChI | InChI=1S/C10H5ClF3NO3S/c11-19(16,17)9-5-8(15-18-9)6-1-3-7(4-2-6)10(12,13)14/h1-5H |
| InChI Key | BAMMSDSJNYQJDZ-UHFFFAOYSA-N |
| MDL Number | MFCD30476148 |
| Molecular Formula | C10H5ClF3NO3S |
| Molecular Weight | 311.6648 |
| SMILES | FC(C1=CC=C(C=C1)C1=NOC(=C1)S(=O)(=O)Cl)(F)F |
| Synonyms | 3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-sulfonyl chloride,
2044871-72-7,
ZINC521399146,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.659g/mol |
| Monoisotopic Mass | 310.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number