| CAS Number | 924383-70-0 |
| Catalog Number | AG00GUFA |
| Chemical Name | 3-Methyl-6-[2-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C15H9F3N2O3/c1-7-12-9(14(21)22)6-11(19-13(12)23-20-7)8-4-2-3-5-10(8)15(16,17)18/h2-6H,1H3,(H,21,22) |
| InChI Key | VLIGFVSYYSWUCV-UHFFFAOYSA-N |
| MDL Number | MFCD08444454 |
| Molecular Formula | C15H9F3N2O3 |
| Molecular Weight | 322.2388 |
| SMILES | O=C(C1=C2C(ON=C2C)=NC(C3=CC=CC=C3C(F)(F)F)=C1)O |
| Synonyms | 3-methyl-6-[2-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4-carboxylic acid,
924383-70-0,
3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid,
3-Methyl-6-(2-(trifluoromethyl)phenyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid,
AC1Q2QAU,
CTK7I7063,
ZINC9738548,
AKOS023166089,
MCULE-6291940638,
NE29029,
EN300-25660,
AB00757106-01,
J-512880,
Z217102854,
sodium (4-methyl-1,3-thiazol-2-yl)acetate,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.243g/mol |
| Monoisotopic Mass | 322.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number