| CAS Number | 1285177-04-9 |
| Catalog Number | AG00J2IZ(AGN-PC-0WB5ZL) |
| Chemical Name | 5-(3,4-Dimethylisoxazol-5-yl)furan-2-sulfonyl chloride |
| IUPAC Name | 5-(3,4-dimethyl-1,2-oxazol-5-yl)furan-2-sulfonyl chloride |
| InChI | InChI=1S/C9H8ClNO4S/c1-5-6(2)11-15-9(5)7-3-4-8(14-7)16(10,12)13/h3-4H,1-2H3 |
| InChI Key | ZDQKUWGNGCITNF-UHFFFAOYSA-N |
| MDL Number | MFCD15729911 |
| Molecular Formula | C9H8ClNO4S |
| Molecular Weight | 261.6821 |
| SMILES | S(Cl)(=O)(=O)C1=CC=C(O1)C1ON=C(C)C=1C |
| Synonyms | 1285177-04-9,
5-(3,4-dimethyl-5-isoxazolyl)-2-furansulfonyl chloride,
5-(3,4-Dimethylisoxazol-5-yl)furan-2-sulfonyl chloride,
ZX-CM009814,
MFCD15729911,
AKOS015935236,
ZINC100104751,
Y-7617,
5-(3,4-Dimethyl-5-isoxazolyl)-2-furansulfonyl chloride, AldrichCPR,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.676g/mol |
| Monoisotopic Mass | 260.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number