| CAS Number | 1260777-52-3 |
| Catalog Number | AG00A02J(AGN-PC-0WNP5H) |
| Chemical Name | 2-(TRIFLUOROMETHYL)IMIDAZO[1,2-A]PYRIDINE-7-CARBOXYLIC ACID |
| IUPAC Name | 2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C9H5F3N2O2/c10-9(11,12)6-4-14-2-1-5(8(15)16)3-7(14)13-6/h1-4H,(H,15,16) |
| InChI Key | IWQCDGQOZWSPJD-UHFFFAOYSA-N |
| MDL Number | MFCD11976234 |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.1434 |
| SMILES | FC(C=1N=C2N(C=CC(=C2)C(=O)O)C1)(F)F |
| Synonyms | 1260777-52-3,
2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid,
MFCD11976234,
ZINC70656120,
AKOS013720405,
EN300-172801,
2-(trifluoromethyl)H-imidazo[1,2-a]pyridine-7-carboxylic acid,
2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid, 95% - 1G 1g,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.146g/mol |
| Monoisotopic Mass | 230.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number