| CAS Number | 380574-64-1 |
| Catalog Number | AG019GRC |
| Chemical Name | 3-[(2-chloro-6-fluorophenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid |
| IUPAC Name | 3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C20H13ClFNO2/c21-15-5-3-6-16(22)14(15)10-11-8-9-13-18(20(24)25)12-4-1-2-7-17(12)23-19(11)13/h1-7,10H,8-9H2,(H,24,25) |
| InChI Key | GCWVEUXRHJDYRU-UHFFFAOYSA-N |
| MDL Number | MFCD03478236 |
| Molecular Formula | C20H13ClFNO2 |
| Molecular Weight | 353.7741 |
| SMILES | OC(C1=C2C(C=CC=C2)=NC2=C1CCC2=CC1=C(Cl)C=CC=C1F)=O |
| Synonyms | 3-[(2-chloro-6-fluorophenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid,
380574-64-1,
AC1MWAXK,
CTK7C2177,
AKOS034382370,
MCULE-8964625487,
Z46108279,
3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
CID3696622,
CID 5897541,
3-(2-Chloro-6-fluoro-benzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
|
| Complexity | 554 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.777g/mol |
| Monoisotopic Mass | 353.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number