| CAS Number | 56355-21-6 |
| Catalog Number | AG01E8I4(AGN-PC-00NSZB) |
| Chemical Name | Ethyl 3-fluoro-4-hydroxybenzoate |
| IUPAC Name | ethyl 3-fluoro-4-hydroxybenzoate |
| InChI | InChI=1S/C9H9FO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3 |
| InChI Key | QEOZGTBBNDHZSK-UHFFFAOYSA-N |
| MDL Number | MFCD06204366 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | C1(C=CC(O)=C(F)C=1)C(=O)OCC |
| Synonyms | ethyl 3-fluoro-4-hydroxybenzoate,
56355-21-6,
3-Fluoro-4-hydroxybenzoic acid ethyl ester,
SCHEMBL184993,
QEOZGTBBNDHZSK-UHFFFAOYSA-N,
ZINC34140817,
AKOS006293263,
3-fluoro-4-hydroxy benzoic acid ethyl ester,
3-Fluoro-4-hydroxy-benzoic Acid Ethyl Ester,
|
| 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