| CAS Number | 1214330-91-2 |
| Catalog Number | AG0014SB(AGN-PC-0WCSPA) |
| Chemical Name | 3-Bromo-6-methoxy-2-(trifluoromethyl)pyridine |
| IUPAC Name | 3-bromo-6-methoxy-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5BrF3NO/c1-13-5-3-2-4(8)6(12-5)7(9,10)11/h2-3H,1H3 |
| InChI Key | JFWIFKVUUGVUEE-UHFFFAOYSA-N |
| MDL Number | MFCD13185383 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | COC1=NC(C(F)(F)F)=C(Br)C=C1 |
| Synonyms | 3-bromo-6-methoxy-2-(trifluoromethyl)pyridine,
1214330-91-2,
ZINC238430944,
Pyridine, 3-bromo-6-methoxy-2-(trifluoromethyl)-,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.022g/mol |
| Monoisotopic Mass | 254.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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