| CAS Number | 1512289-45-0 |
| Catalog Number | AG01EKQV |
| Chemical Name | 3-((4-(trifluoromethyl)pyridin-2-yl)oxy)benzoic acid |
| IUPAC Name | 3-[4-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid |
| InChI | InChI=1S/C13H8F3NO3/c14-13(15,16)9-4-5-17-11(7-9)20-10-3-1-2-8(6-10)12(18)19/h1-7H,(H,18,19) |
| InChI Key | ZPUVCRJUNOOYTD-UHFFFAOYSA-N |
| MDL Number | MFCD31691207 |
| Molecular Formula | C13H8F3NO3 |
| Molecular Weight | 283.2027 |
| SMILES | OC(C1=CC(OC2=NC=CC(C(F)(F)F)=C2)=CC=C1)=O |
| Synonyms | SCHEMBL5926689,
AKOS015674234,
3-{[4-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid,
1512289-45-0,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.206g/mol |
| Monoisotopic Mass | 283.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number