| CAS Number | 404827-94-7 |
| Catalog Number | AG01AUTK(AGN-PC-03I0IG) |
| Chemical Name | 4-chloro-2-[2-(trifluoromethyl)phenyl]quinazoline |
| IUPAC Name | 4-chloro-2-[2-(trifluoromethyl)phenyl]quinazoline |
| InChI | InChI=1S/C15H8ClF3N2/c16-13-10-6-2-4-8-12(10)20-14(21-13)9-5-1-3-7-11(9)15(17,18)19/h1-8H |
| InChI Key | CFEKRHHTPRDKMS-UHFFFAOYSA-N |
| MDL Number | MFCD29041207 |
| Molecular Formula | C15H8ClF3N2 |
| Molecular Weight | 308.6856 |
| SMILES | FC(C1=C(C2=NC3=C(C=CC=C3)C(Cl)=N2)C=CC=C1)(F)F |
| Synonyms | 4-Chloro-2-[2-(trifluoromethyl)phenyl]quinazoline,
404827-94-7,
SCHEMBL785399,
ZINC114587539,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.688g/mol |
| Monoisotopic Mass | 308.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number