| CAS Number | 1248787-46-3 |
| Catalog Number | AG019T1F |
| Chemical Name | 2-Ethoxy-3-fluorobenzoic acid |
| IUPAC Name | 2-ethoxy-3-fluorobenzoic acid |
| InChI | InChI=1S/C9H9FO3/c1-2-13-8-6(9(11)12)4-3-5-7(8)10/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | SZLUDJWZMVNQHK-UHFFFAOYSA-N |
| MDL Number | MFCD16836018 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | CCOC1=C(C(O)=O)C=CC=C1F |
| Synonyms | 2-ethoxy-3-fluorobenzoic acid,
1248787-46-3,
SCHEMBL16481806,
ZINC54187824,
AKOS011943674,
MCULE-4619065805,
NE31288,
Z1272949026,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.166g/mol |
| Monoisotopic Mass | 184.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number