| CAS Number | 321686-44-6 |
| Catalog Number | AG01ELJO |
| Chemical Name | 2-(3-chlorophenyl)-2,3-dihydro-1H-isoindol-1-imine |
| IUPAC Name | 2-(3-chlorophenyl)-3H-isoindol-1-imine |
| InChI | InChI=1S/C14H11ClN2/c15-11-5-3-6-12(8-11)17-9-10-4-1-2-7-13(10)14(17)16/h1-8,16H,9H2 |
| InChI Key | LSCHZKURTICKTH-UHFFFAOYSA-N |
| MDL Number | MFCD00525132 |
| Molecular Formula | C14H11ClN2 |
| Molecular Weight | 242.7035 |
| SMILES | ClC1=CC(N2C(=N)C3=C(C=CC=C3)C2)=CC=C1 |
| Synonyms | ZINC20002882,
AKOS003627210,
2-(3-chlorophenyl)-2,3-dihydro-1H-isoindol-1-imine,
321686-44-6,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.706g/mol |
| Monoisotopic Mass | 242.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number