| CAS Number | 1343067-49-1 |
| Catalog Number | AG01A4NF |
| Chemical Name | 2,5,8-Trichloroquinoline |
| IUPAC Name | 2,5,8-trichloroquinoline |
| InChI | InChI=1S/C9H4Cl3N/c10-6-2-3-7(11)9-5(6)1-4-8(12)13-9/h1-4H |
| InChI Key | YVWFFKZWXRICFB-UHFFFAOYSA-N |
| MDL Number | MFCD19678386 |
| Molecular Formula | C9H4Cl3N |
| Molecular Weight | 232.4938 |
| SMILES | ClC1=NC2=C(C=CC(=C2C=C1)Cl)Cl |
| Synonyms | 2,5,8-trichloroquinoline,
1343067-49-1,
ZINC70055084,
AKOS013528452,
NE28936,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.488g/mol |
| Monoisotopic Mass | 230.941g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number