| CAS Number | 17514-69-1 |
| Catalog Number | AG01A2FP |
| Chemical Name | 7-chloro-3-methyl-1$l^{6}-benzothiophene-1,1-dione |
| IUPAC Name | 7-chloro-3-methyl-1-benzothiophene 1,1-dioxide |
| InChI | InChI=1S/C9H7ClO2S/c1-6-5-13(11,12)9-7(6)3-2-4-8(9)10/h2-5H,1H3 |
| InChI Key | RVXUOIAUUUPODW-UHFFFAOYSA-N |
| MDL Number | MFCD22578564 |
| Molecular Formula | C9H7ClO2S |
| Molecular Weight | 214.6687 |
| SMILES | CC1C2=CC=CC(Cl)=C2S(=O)(=O)C=1 |
| Synonyms | 17514-69-1,
ZINC83255195,
AKOS033551038,
NE45314,
7-chloro-3-methyl-1??-benzothiophene-1,1-dione,
7-chloro-3-methyl-1lambda-benzothiophene-1,1-dione,
7-chloro-3-methyl-1$l^{6}-benzothiophene-1,1-dione,
7-chloro-3-methyl-1lambda6-benzothiophene-1,1-dione,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.663g/mol |
| Monoisotopic Mass | 213.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number