| CAS Number | 565167-98-8 |
| Catalog Number | AG00ECLS |
| Chemical Name | 4-(2-Chloro-6-fluorobenzylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid |
| IUPAC Name | 4-[(2-chloro-6-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| InChI | InChI=1S/C21H15ClFNO2/c22-16-8-4-9-17(23)15(16)11-12-5-3-7-14-19(21(25)26)13-6-1-2-10-18(13)24-20(12)14/h1-2,4,6,8-11H,3,5,7H2,(H,25,26) |
| InChI Key | IQSZSIBCBOQZIZ-UHFFFAOYSA-N |
| MDL Number | MFCD03970385 |
| Molecular Formula | C21H15ClFNO2 |
| Molecular Weight | 367.8007 |
| SMILES | O=C(C1=C(CCCC2=CC3=C(F)C=CC=C3Cl)C2=NC4=CC=CC=C41)O |
| Synonyms | 565167-98-8,
4-[(2-chloro-6-fluorophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid,
AC1NMHAJ,
CTK7C2178,
AKOS034380033,
MCULE-1936131979,
Z46035742,
4-[(2-chloro-6-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid,
CID5009991,
4-(2-Chloro-6-fluoro-benzylidene)-1,2,3,4-tetrahydro-acridine-9-carboxylic acid,
4-[(2-chloro-6-fluoro-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic Acid,
|
| Complexity | 568 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.804g/mol |
| Monoisotopic Mass | 367.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number