| CAS Number | 1803571-70-1 |
| Catalog Number | AG01BDH5 |
| Chemical Name | 7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide |
| IUPAC Name | 7-(1,3-dioxoisoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide |
| InChI | InChI=1S/C17H19Cl3N2O4/c18-17(19,20)16(26)21-13(23)9-3-1-2-6-10-22-14(24)11-7-4-5-8-12(11)15(22)25/h4-5,7-8,16,26H,1-3,6,9-10H2,(H,21,23) |
| InChI Key | NQWJCTHCMBJUAG-UHFFFAOYSA-N |
| MDL Number | MFCD28064261 |
| Molecular Formula | C17H19Cl3N2O4 |
| Molecular Weight | 421.7028 |
| SMILES | OC(C(Cl)(Cl)Cl)NC(CCCCCCN1C(=O)C2=C(C=CC=C2)C1=O)=O |
| Synonyms | 7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2,2,2-trichloro-1-hydroxyethyl)heptanamide,
1803571-70-1,
|
| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.699g/mol |
| Monoisotopic Mass | 420.041g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number