| CAS Number | 1427173-25-8 |
| Catalog Number | AG01A3ZY |
| Chemical Name | 1,3-benzoxazole-5-sulfonyl chloride |
| IUPAC Name | 1,3-benzoxazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H4ClNO3S/c8-13(10,11)5-1-2-7-6(3-5)9-4-12-7/h1-4H |
| InChI Key | LXDQKPFOXIGKSW-UHFFFAOYSA-N |
| MDL Number | MFCD26401686 |
| Molecular Formula | C7H4ClNO3S |
| Molecular Weight | 217.6296 |
| SMILES | ClS(C1=CC2=C(OC=N2)C=C1)(=O)=O |
| Synonyms | 1,3-benzoxazole-5-sulfonyl chloride,
1427173-25-8,
5-Benzoxazolesulfonyl chloride,
ZINC211412669,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.623g/mol |
| Monoisotopic Mass | 216.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number