| CAS Number | 1782509-09-4 |
| Catalog Number | AG01DVU6 |
| Chemical Name | 4-Bromo-6-(trifluoromethyl)isoquinoline |
| IUPAC Name | 4-bromo-6-(trifluoromethyl)isoquinoline |
| InChI | InChI=1S/C10H5BrF3N/c11-9-5-15-4-6-1-2-7(3-8(6)9)10(12,13)14/h1-5H |
| InChI Key | BHLMEFHULAMRLC-UHFFFAOYSA-N |
| MDL Number | MFCD31615588 |
| Molecular Formula | C10H5BrF3N |
| Molecular Weight | 276.0526 |
| SMILES | FC(C1=CC2=C(C=NC=C2Br)C=C1)(F)F |
| Synonyms | 4-Bromo-6-(trifluoromethyl)isoquinoline,
1782509-09-4,
AKOS024182840,
AS-49728,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.056g/mol |
| Monoisotopic Mass | 274.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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