| CAS Number | 1020087-33-5 |
| Catalog Number | AG01AABA |
| Chemical Name | 4-chloro-6,7,8-trifluoroquinoline |
| IUPAC Name | 4-chloro-6,7,8-trifluoroquinoline |
| InChI | InChI=1S/C9H3ClF3N/c10-5-1-2-14-9-4(5)3-6(11)7(12)8(9)13/h1-3H |
| InChI Key | GCGDQNKFLFUHBN-UHFFFAOYSA-N |
| MDL Number | MFCD12192768 |
| Molecular Formula | C9H3ClF3N |
| Molecular Weight | 217.5750 |
| SMILES | FC1=C(F)C(F)=C2C(C(=CC=N2)Cl)=C1 |
| Synonyms | 4-chloro-6,7,8-trifluoroquinoline,
1020087-33-5,
SCHEMBL1878775,
ZINC35731089,
AKOS009582015,
Z2736475278,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.575g/mol |
| Monoisotopic Mass | 216.991g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number