| CAS Number | 1457483-77-0 |
| Catalog Number | AG00HXGI |
| Chemical Name | 2-[(2-Chloropyridin-4-yl)methyl]isoindole-1,3-dione |
| IUPAC Name | 2-[(2-chloropyridin-4-yl)methyl]isoindole-1,3-dione |
| InChI | InChI=1S/C14H9ClN2O2/c15-12-7-9(5-6-16-12)8-17-13(18)10-3-1-2-4-11(10)14(17)19/h1-7H,8H2 |
| InChI Key | BQTCJOSHIVQMEP-UHFFFAOYSA-N |
| MDL Number | MFCD17477184 |
| Molecular Formula | C14H9ClN2O2 |
| Molecular Weight | 272.6865 |
| SMILES | Clc1nccc(c1)CN1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 2-[(2-chloropyridin-4-yl)methyl]isoindole-1,3-dione,
1457483-77-0,
ZINC51395936,
AKOS011583854,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.688g/mol |
| Monoisotopic Mass | 272.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number