| CAS Number | 380574-48-1 |
| Catalog Number | AG00C6M3 |
| Chemical Name | 3-(3,4-DICHLORO-BENZYLIDENE)-2,3-DIHYDRO-1H-CYCLOPENTA[B]QUINOLINE-9-CARBOXYLIC ACID |
| IUPAC Name | 3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C20H13Cl2NO2/c21-15-8-5-11(10-16(15)22)9-12-6-7-14-18(20(24)25)13-3-1-2-4-17(13)23-19(12)14/h1-5,8-10H,6-7H2,(H,24,25) |
| InChI Key | SUQNGDIEEBYGGF-UHFFFAOYSA-N |
| MDL Number | MFCD03478234 |
| Molecular Formula | C20H13Cl2NO2 |
| Molecular Weight | 370.2287 |
| SMILES | O=C(C1=C(CCC2=CC3=CC=C(Cl)C(Cl)=C3)C2=NC4=CC=CC=C14)O |
| Synonyms | 380574-48-1,
3-(3,4-dichlorobenzylidene)-2,3-dihydro-1h-cyclopenta[b]quinoline-9-carboxylic acid,
3-(3,4-Dichloro-benzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
AC1NMHAG,
CTK7I6462,
AKOS030692113,
MCULE-2308977441,
3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
CID5009990,
CID 5009990,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.229g/mol |
| Monoisotopic Mass | 369.032g/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