| CAS Number | 2070-42-0 |
| Catalog Number | AG01DTF3(AGN-PC-0JONFN) |
| Chemical Name | 2-(5-fluoropyridin-2-yl)oxyacetic acid |
| IUPAC Name | 2-(5-fluoropyridin-2-yl)oxyacetic acid |
| InChI | InChI=1S/C7H6FNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11) |
| InChI Key | QINZQUZMEJPLII-UHFFFAOYSA-N |
| MDL Number | MFCD31559566 |
| Molecular Formula | C7H6FNO3 |
| Molecular Weight | 171.1258 |
| NSC Number | 190663 |
| SMILES | O=C(O)COC1=NC=C(F)C=C1 |
| Synonyms | 2-(5-fluoropyridin-2-yl)oxyacetic acid,
2070-42-0,
2-((5-Fluoropyridin-2-yl)oxy)acetic acid,
NSC190663,
AC1L71KV,
DTXSID50307298,
ZINC1732260,
AKOS034112627,
NSC-190663,
CID302914,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.127g/mol |
| Monoisotopic Mass | 171.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number