| CAS Number | 402849-27-8 |
| Catalog Number | AG00C96Z(AGN-PC-0RMP04) |
| Chemical Name | 4-Chloro-2-(4-chlorobenzoyl)-1-(4-methoxyphenyl)hydrazide Benzoic Acid |
| IUPAC Name | 4-chloro-N'-(4-chlorobenzoyl)-N'-(4-methoxyphenyl)benzohydrazide |
| InChI | InChI=1S/C21H16Cl2N2O3/c1-28-19-12-10-18(11-13-19)25(21(27)15-4-8-17(23)9-5-15)24-20(26)14-2-6-16(22)7-3-14/h2-13H,1H3,(H,24,26) |
| InChI Key | GSKPJTLOCASRRI-UHFFFAOYSA-N |
| MDL Number | MFCD29045188 |
| Molecular Formula | C21H16Cl2N2O3 |
| Molecular Weight | 415.2693 |
| SMILES | ClC1=CC=C(C(=O)NN(C(C2=CC=C(C=C2)Cl)=O)C2=CC=C(C=C2)OC)C=C1 |
| Synonyms | 402849-27-8,
4-Chloro-2-(4-chlorobenzoyl)-1-(4-methoxyphenyl)hydrazide Benzoic Acid,
Indomethacin Impurity F,
|
| Complexity | 524 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.27g/mol |
| Monoisotopic Mass | 414.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number