| CAS Number | 1214387-36-6 |
| Catalog Number | AG009CX1 |
| Chemical Name | Ethyl 2-fluoro-5-hydroxybenzoate |
| IUPAC Name | ethyl 2-fluoro-5-hydroxybenzoate |
| InChI | InChI=1S/C9H9FO3/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5,11H,2H2,1H3 |
| InChI Key | YIOKGMPKRJQQJE-UHFFFAOYSA-N |
| MDL Number | MFCD12406844 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | C1(C=C(O)C=CC=1F)C(=O)OCC |
| Synonyms | ethyl 2-fluoro-5-hydroxybenzoate,
1214387-36-6,
Ethyl2-fluoro-5-hydroxybenzoate,
Benzoic acid, 2-fluoro-5-hydroxy-, ethyl ester,
SCHEMBL12093159,
ZINC47202833,
AKOS025402843,
CM12715,
FT-0728172,
2-FLUORO-5-HYDROXYBENZOIC ACID ETHYL ESTER,
1084801-91-1,
|
| 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