| CAS Number | 379729-48-3 |
| Catalog Number | AG019GRN |
| Chemical Name | 4-[(2-chlorophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid |
| IUPAC Name | 4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| InChI | InChI=1S/C21H16ClNO2/c22-17-10-3-1-6-13(17)12-14-7-5-9-16-19(21(24)25)15-8-2-4-11-18(15)23-20(14)16/h1-4,6,8,10-12H,5,7,9H2,(H,24,25) |
| InChI Key | XWSGVLPMCPZSSJ-UHFFFAOYSA-N |
| MDL Number | MFCD03152767 |
| Molecular Formula | C21H16ClNO2 |
| Molecular Weight | 349.8102 |
| SMILES | OC(C1=C2C(C=CC=C2)=NC2=C1CCCC2=CC1=C(Cl)C=CC=C1)=O |
| Synonyms | 4-[(2-chlorophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid,
379729-48-3,
AC1MY91X,
CTK6H3159,
CTK8F5265,
4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic Acid,
AKOS034380027,
MCULE-6443858935,
Z46035732,
CID3853045,
4-(2-Chloro-benzylidene)-1,2,3,4-tetrahydro-acridine-9-carboxylic acid,
|
| Complexity | 534 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.814g/mol |
| Monoisotopic Mass | 349.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number