| CAS Number | 1187930-58-0 |
| Catalog Number | AG0092JS(AGN-PC-09RRKS) |
| Chemical Name | 5-Bromo-3-methyl-2-(2,2,2-trifluoroethoxy)pyridine |
| IUPAC Name | 5-bromo-3-methyl-2-(2,2,2-trifluoroethoxy)pyridine |
| InChI | InChI=1S/C8H7BrF3NO/c1-5-2-6(9)3-13-7(5)14-4-8(10,11)12/h2-3H,4H2,1H3 |
| InChI Key | LEFHFXVPBQVHRP-UHFFFAOYSA-N |
| MDL Number | MFCD11858508 |
| Molecular Formula | C8H7BrF3NO |
| Molecular Weight | 270.0465 |
| SMILES | FC(F)(F)COC1=NC=C(Br)C=C1C |
| Synonyms | 5-bromo-3-methyl-2-(2,2,2-trifluoroethoxy)pyridine,
1187930-58-0,
SCHEMBL17316585,
3129AJ,
MFCD11858508,
ZINC95635213,
NE20467,
AS-47458,
AJ-133259,
5-BROMO-3-METHYL-2-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE,
C8H7BrF3NO,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.049g/mol |
| Monoisotopic Mass | 268.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number