| CAS Number | 351317-28-7 |
| Catalog Number | AG00CHQ5(AGN-PC-01NTEI) |
| Chemical Name | Ethyl 4-fluoro-3-hydroxybenzoate |
| EC Number | 609-070-2 |
| IUPAC Name | ethyl 4-fluoro-3-hydroxybenzoate |
| InChI | InChI=1S/C9H9FO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3 |
| InChI Key | QBOPWLOHFBLVGT-UHFFFAOYSA-N |
| MDL Number | MFCD12025283 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | CCOC(C1=CC(O)=C(F)C=C1)=O |
| Synonyms | ETHYL 4-FLUORO-3-HYDROXYBENZOATE,
351317-28-7,
BENZOIC ACID, 4-FLUORO-3-HYDROXY-, ETHYL ESTER,
SCHEMBL190719,
CTK4H3710,
DTXSID70592462,
QBOPWLOHFBLVGT-UHFFFAOYSA-N,
ZINC47202837,
AS01265,
FCH1136425,
ACM351317287,
AX8277833,
4-fluoro-3-hydroxy-benzoic acid ethyl ester,
FT-0706413,
4-FLUORO-3-HYDROXYBENZOIC ACID ETHYL ESTER,
Ethyl4-fluoro-3-hydroxybenzoate,
ethyl 3-hydroxy-4-fluorobenzoate,
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| 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
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Certificate of Analysis
Lot Number