| CAS Number | 1188926-14-8 |
| Catalog Number | AG0094PP(AGN-PC-0WAHOP) |
| Chemical Name | 5-Bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)nicotinic acid |
| IUPAC Name | 5-bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H4BrF6NO3/c10-4-1-3(7(18)19)5(9(14,15)16)17-6(4)20-2-8(11,12)13/h1H,2H2,(H,18,19) |
| InChI Key | CBLFAJZVUTVLKR-UHFFFAOYSA-N |
| MDL Number | MFCD26961059 |
| Molecular Formula | C9H4BrF6NO3 |
| Molecular Weight | 368.0274 |
| SMILES | OC(=O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F |
| Synonyms | 5-Bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)nicotinic acid,
1188926-14-8,
SCHEMBL3412275,
CBLFAJZVUTVLKR-UHFFFAOYSA-N,
1,2-Cyclohexanedicarbonyldichloride,
MFCD26961059,
AKOS024464649,
ZINC215765160,
AK162726,
CS-0060151,
5-Bromo-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinic acid,
34684-19-0,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.029g/mol |
| Monoisotopic Mass | 366.928g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number