| CAS Number | 1273323-67-3 |
| Catalog Number | AG009CFT |
| Chemical Name | YLF-466D |
| IUPAC Name | 3-[[(3E)-3-[(4-chlorophenyl)-phenylmethylidene]-2-oxoindol-1-yl]methyl]benzoic acid |
| InChI | InChI=1S/C29H20ClNO3/c30-23-15-13-21(14-16-23)26(20-8-2-1-3-9-20)27-24-11-4-5-12-25(24)31(28(27)32)18-19-7-6-10-22(17-19)29(33)34/h1-17H,18H2,(H,33,34)/b27-26+ |
| InChI Key | BPBOVHROVFJFAH-CYYJNZCTSA-N |
| MDL Number | MFCD28167740 |
| Molecular Formula | C29H20ClNO3 |
| Molecular Weight | 465.9270 |
| SMILES | Clc1ccc(cc1)C(=C1c2ccccc2N(C1=O)Cc1cccc(c1)C(=O)O)c1ccccc1 |
| Synonyms | 3-((3-((4-chlorophenyl)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-1-yl)methyl)benzoic acid,
YLF-466D,
YLF-466D,
CHEMBL2386114,
1273323-67-3,
SCHEMBL1444309,
BDBM50434268,
ZINC96270368,
C24;YLF 466D;YLF466D,
CS-2118,
NCGC00378823-01,
HY-15840,
|
| Complexity | 780 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 465.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.933g/mol |
| Monoisotopic Mass | 465.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number