| CAS Number | 522624-46-0 |
| Catalog Number | AG019GRR |
| Chemical Name | 3-[(4-Chlorophenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid |
| IUPAC Name | 3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C20H14ClNO2/c21-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)22-19(13)16/h1-6,8-9,11H,7,10H2,(H,23,24) |
| InChI Key | KVJSBURZPOBEQI-UHFFFAOYSA-N |
| MDL Number | MFCD03651682 |
| Molecular Formula | C20H14ClNO2 |
| Molecular Weight | 335.7837 |
| SMILES | Clc1ccc(cc1)C=C1CCc2c1nc1ccccc1c2C(=O)O |
| Synonyms | 3-[(4-chlorophenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid,
522624-46-0,
AC1NE6FI,
CTK6G9358,
AKOS034382368,
MCULE-1186202935,
Z46108276,
3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
CID4637308,
CID 6172013,
3-(4-Chloro-benzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.787g/mol |
| Monoisotopic Mass | 335.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number