| CAS Number | 80023-25-2 |
| Catalog Number | AG01AI9G(AGN-PC-023DBM) |
| Chemical Name | 3-Chloro-2-cyanobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-chloro-2-cyanobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3Cl2NO2S/c8-6-2-1-3-7(5(6)4-10)13(9,11)12/h1-3H |
| InChI Key | FJRVDPLJNHWGSE-UHFFFAOYSA-N |
| MDL Number | MFCD16780024 |
| Molecular Formula | C7H3Cl2NO2S |
| Molecular Weight | 236.0752 |
| SMILES | ClC1=C(C#N)C(S(Cl)(=O)=O)=CC=C1 |
| Synonyms | 3-chloro-2-cyanobenzene-1-sulfonyl chloride,
EN300-77103,
80023-25-2,
SCHEMBL2570257,
FJRVDPLJNHWGSE-UHFFFAOYSA-N,
AKOS011786427,
ZINC100631836,
2-cyano-3-chlorobenzenesulfonylchloride,
FCH4897655,
NE47716,
2-cyano-3-chlorobenzenesulphonylchloride,
BBV-34315794,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.066g/mol |
| Monoisotopic Mass | 234.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number