| CAS Number | 1256643-55-6 |
| Catalog Number | AG000OAV(AGN-PC-0WB5RW) |
| Chemical Name | 5,7-Dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonyl chloride |
| IUPAC Name | 5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride |
| InChI | InChI=1S/C8H7ClN2O3S/c1-4-3-5(2)8(15(9,12)13)7-6(4)10-14-11-7/h3H,1-2H3 |
| InChI Key | KFIKFRDBDZKOMA-UHFFFAOYSA-N |
| MDL Number | MFCD18381909 |
| Molecular Formula | C8H7ClN2O3S |
| Molecular Weight | 246.6708 |
| SMILES | C12=NON=C1C(C)=CC(C)=C2S(Cl)(=O)=O |
| Synonyms | 1256643-55-6,
5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride,
5,7-Dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonyl chloride,
ZX-CM009033,
MFCD18381909,
AKOS006335788,
ZINC100153046,
Y-7880,
4039804-25G,
2,1,3-Benzoxadiazole-4-sulfonyl chloride, 5,7-dimethyl-,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.665g/mol |
| Monoisotopic Mass | 245.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number