| CAS Number | 2055119-28-1 |
| Catalog Number | AG00I3X3(AGN-PC-0WQZTZ) |
| Chemical Name | 8-(Trifluoromethyl)quinoline-4-carbonitrile |
| IUPAC Name | 8-(trifluoromethyl)quinoline-4-carbonitrile |
| InChI | InChI=1S/C11H5F3N2/c12-11(13,14)9-3-1-2-8-7(6-15)4-5-16-10(8)9/h1-5H |
| InChI Key | GGLAMLCHJQORHZ-UHFFFAOYSA-N |
| MDL Number | MFCD30527651 |
| Molecular Formula | C11H5F3N2 |
| Molecular Weight | 222.1660 |
| SMILES | N#Cc1ccnc2c1cccc2C(F)(F)F |
| Synonyms | 8-(Trifluoromethyl)quinoline-4-carbonitrile,
2055119-28-1,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.17g/mol |
| Monoisotopic Mass | 222.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number