| CAS Number | 853017-60-4 |
| Catalog Number | AG01EXSI(AGN-PC-0HGJQ7) |
| Chemical Name | 2-Bromo-6-trifluoromethylnaphthalene |
| IUPAC Name | 2-bromo-6-(trifluoromethyl)naphthalene |
| InChI | InChI=1S/C11H6BrF3/c12-10-4-2-7-5-9(11(13,14)15)3-1-8(7)6-10/h1-6H |
| InChI Key | QAPILDOVQQYRIG-UHFFFAOYSA-N |
| MDL Number | MFCD18410849 |
| Molecular Formula | C11H6BrF3 |
| Molecular Weight | 275.0645 |
| SMILES | BrC1=CC2=C(C=C1)C=C(C=C2)C(F)(F)F |
| Synonyms | 2-Bromo-6-trifluoromethylnaphthalene,
853017-60-4,
SCHEMBL2644666,
QAPILDOVQQYRIG-UHFFFAOYSA-N,
ZINC96024738,
AKOS024263275,
2-bromo-6-(trifluoromethyl)naphthalene,
2-bromo-6-(trifluoromethyl)-naphthalene,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.068g/mol |
| Monoisotopic Mass | 273.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number