| CAS Number | 87488-64-0 |
| Catalog Number | AG01A54K(AGN-PC-0WOAPA) |
| Chemical Name | 2-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-(1,2-oxazol-5-yl)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-7(9)8-5-6-11-14-8/h1-6H |
| InChI Key | JMEYKLPFXXZHEE-UHFFFAOYSA-N |
| MDL Number | MFCD19201106 |
| Molecular Formula | C9H6ClNO3S |
| Molecular Weight | 243.6668 |
| SMILES | ClS(C1=C(C2ON=CC=2)C=CC=C1)(=O)=O |
| Synonyms | 2-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride,
87488-64-0,
SCHEMBL10547439,
JMEYKLPFXXZHEE-UHFFFAOYSA-N,
ZINC97945876,
AKOS006332818,
NE34006,
2-(isoxazol-5yl)benzenesulfonyl chloride,
2-(isoxazol-5-yl)benzenesulfonyl chloride,
Z1962166597,
|
| Complexity | 314 |
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number