| CAS Number | 223127-25-1 |
| Catalog Number | AG01AAY3(AGN-PC-0WO9WA) |
| Chemical Name | 6-(2,2,3,3-Tetrafluoropropoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H7F4NO3/c10-8(11)9(12,13)4-17-6-2-1-5(3-14-6)7(15)16/h1-3,8H,4H2,(H,15,16) |
| InChI Key | SSXLDKAIMIOTMF-UHFFFAOYSA-N |
| MDL Number | MFCD10690623 |
| Molecular Formula | C9H7F4NO3 |
| Molecular Weight | 253.1504 |
| SMILES | OC(C1=CN=C(OCC(C(F)F)(F)F)C=C1)=O |
| Synonyms | 6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxylic acid,
223127-25-1,
AC1Q73YY,
SCHEMBL2714985,
ZINC34958351,
AKOS005201778,
MCULE-7922026558,
NE38763,
EN300-69890,
Z1259273118,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.153g/mol |
| Monoisotopic Mass | 253.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number