| CAS Number | 21900-57-2 |
| Catalog Number | AG00BLJA(AGN-PC-07ABDL) |
| Chemical Name | 2-Chloro-3-fluorobenzoyl chloride |
| IUPAC Name | 2-chloro-3-fluorobenzoyl chloride |
| InChI | InChI=1S/C7H3Cl2FO/c8-6-4(7(9)11)2-1-3-5(6)10/h1-3H |
| InChI Key | DIUKLCJZYOPHGW-UHFFFAOYSA-N |
| MDL Number | MFCD12026287 |
| Molecular Formula | C7H3Cl2FO |
| Molecular Weight | 193.0025 |
| SMILES | FC1=C(Cl)C(C(Cl)=O)=CC=C1 |
| Synonyms | 2-Chloro-3-fluorobenzoyl chloride,
21900-57-2,
Benzoyl chloride, 2-chloro-3-fluoro- (8CI,9CI),
SCHEMBL785155,
DTXSID00664808,
DIUKLCJZYOPHGW-UHFFFAOYSA-N,
ZINC36533202,
AKOS006317457,
Benzoyl chloride, 2-chloro-3-fluoro-,
2-chloro-3-fluorobenzoic acid chloride,
FS-6131,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.998g/mol |
| Monoisotopic Mass | 191.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number