| CAS Number | 80023-23-0 |
| Catalog Number | AG019X78 |
| Chemical Name | 2-Cyano-3-fluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-cyano-3-fluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-3-1-2-6(9)5(7)4-10/h1-3H |
| InChI Key | BGAALQGGQLDGFK-UHFFFAOYSA-N |
| MDL Number | MFCD12142488 |
| Molecular Formula | C7H3ClFNO2S |
| Molecular Weight | 219.6206 |
| SMILES | FC1=C(C#N)C(S(Cl)(=O)=O)=CC=C1 |
| Synonyms | 2-cyano-3-fluorobenzene-1-sulfonyl chloride,
EN300-54245,
80023-23-0,
SCHEMBL970204,
BGAALQGGQLDGFK-UHFFFAOYSA-N,
FCH172880,
AKOS008135661,
ZINC100594218,
MCULE-6021949136,
NE32224,
2-cyano-3-fluorobenzenesulphonylchloride,
2-cyano-3-fluoro-benzenesulfonyl chloride,
BBV-25208264,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.614g/mol |
| Monoisotopic Mass | 218.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number