| CAS Number | 914636-59-2 |
| Catalog Number | AG00IGPN(AGN-PC-0WCAY3) |
| Chemical Name | 4-([4-(Trifluoromethyl)pyrimidin-2-yl]oxy)benzoic acid |
| IUPAC Name | 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid |
| InChI | InChI=1S/C12H7F3N2O3/c13-12(14,15)9-5-6-16-11(17-9)20-8-3-1-7(2-4-8)10(18)19/h1-6H,(H,18,19) |
| InChI Key | HSYRXBMFGXXHBW-UHFFFAOYSA-N |
| MDL Number | MFCD08235203 |
| Molecular Formula | C12H7F3N2O3 |
| Molecular Weight | 284.1908 |
| SMILES | FC(C1=CC=NC(=N1)OC1C=CC(C(O)=O)=CC=1)(F)F |
| Synonyms | 4-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzoic acid,
914636-59-2,
4-([4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]OXY)BENZOIC ACID,
4-((4-(Trifluoromethyl)pyrimidin-2-yl)oxy)benzoic acid,
SCHEMBL14994045,
CTK7I8078,
DTXSID90650497,
KS-00003R0B,
ZX-AP001196,
3006AF,
MFCD08235203,
PC8962,
SBB052828,
ZINC16159604,
AKOS011308545,
PS-7202,
RT-009959,
2-(4-Carboxyphenoxy)-4-(trifluoromethyl)pyrimidine,
4-[4-(trifluoromethyl)pyrimidin-2-yloxy]benzoic acid,
C12H7F3N2O3,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.194g/mol |
| Monoisotopic Mass | 284.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number