| CAS Number | 1449578-59-9 |
| Catalog Number | AG01DJVC(AGN-PC-0WCK1Y) |
| Chemical Name | 5-Bromo-2-(3-(trifluoromethoxy)phenyl)pyridine |
| IUPAC Name | 5-bromo-2-[3-(trifluoromethoxy)phenyl]pyridine |
| InChI | InChI=1S/C12H7BrF3NO/c13-9-4-5-11(17-7-9)8-2-1-3-10(6-8)18-12(14,15)16/h1-7H |
| InChI Key | APJTXCCSMVMUOQ-UHFFFAOYSA-N |
| MDL Number | MFCD28142845 |
| Molecular Formula | C12H7BrF3NO |
| Molecular Weight | 318.0893 |
| SMILES | FC(F)(F)OC1=CC(=CC=C1)C1=NC=C(Br)C=C1 |
| Synonyms | 5-Bromo-2-(3-(trifluoromethoxy)phenyl)pyridine,
1449578-59-9,
5-Bromo-2-[3-(trifluoromethoxy)phenyl]pyridine,
MFCD28142845,
ZINC253532774,
AS-55001,
TZ000692,
CS-0039060,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.093g/mol |
| Monoisotopic Mass | 316.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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