| CAS Number | 37543-50-3 |
| Catalog Number | AG01C3XE |
| Chemical Name | 3-Phenyl-1,2-oxazole-5-sulfonyl chloride |
| IUPAC Name | 3-phenyl-1,2-oxazole-5-sulfonyl chloride |
| InChI | InChI=1S/C9H6ClNO3S/c10-15(12,13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H |
| InChI Key | NCKNGGKOOAPRLL-UHFFFAOYSA-N |
| MDL Number | MFCD19200321 |
| Molecular Formula | C9H6ClNO3S |
| Molecular Weight | 243.6668 |
| SMILES | ClS(C1ON=C(C2=CC=CC=C2)C=1)(=O)=O |
| Synonyms | 3-phenyl-1,2-oxazole-5-sulfonyl chloride,
37543-50-3,
AKOS006334257,
ZINC104539117,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.661g/mol |
| Monoisotopic Mass | 242.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number