| CAS Number | 35982-47-9 |
| Catalog Number | AG01B8XP |
| Chemical Name | 6-Bromo-2-(trifluoromethyl)quinazolin-4(3H)-one |
| IUPAC Name | 6-bromo-2-(trifluoromethyl)-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H4BrF3N2O/c10-4-1-2-6-5(3-4)7(16)15-8(14-6)9(11,12)13/h1-3H,(H,14,15,16) |
| InChI Key | CVFIXMBDNFNGMJ-UHFFFAOYSA-N |
| MDL Number | MFCD23099962 |
| Molecular Formula | C9H4BrF3N2O |
| Molecular Weight | 293.0401 |
| SMILES | FC(C1NC(=O)C2=C(C=CC(=C2)Br)N=1)(F)F |
| Synonyms | 35982-47-9,
6-Bromo-2-(trifluoromethyl)quinazolin-4(3H)-one,
MFCD23099962,
ZINC77251657,
AKOS027329264,
AS-36395,
6-Bromo-2-(trifluoromethyl)quinazolin-4-ol,
Z666629670,
6-bromo-2-(trifluoromethyl)-3,4-dihydroquinazolin-4-one,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.043g/mol |
| Monoisotopic Mass | 291.946g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number