| CAS Number | 492444-05-0 |
| Catalog Number | AG00712M(AGN-PC-01NHQO) |
| Chemical Name | 6-Fluoro-2,3-dihydroxybenzoic acid |
| IUPAC Name | 6-fluoro-2,3-dihydroxybenzoic acid |
| InChI | InChI=1S/C7H5FO4/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,9-10H,(H,11,12) |
| InChI Key | LDVNZXZKWHFOMJ-UHFFFAOYSA-N |
| MDL Number | MFCD09038124 |
| Molecular Formula | C7H5FO4 |
| Molecular Weight | 172.1106 |
| SMILES | OC(C1=C(F)C=CC(O)=C1O)=O |
| Synonyms | 6-FLUORO-2,3-DIHYDROXYBENZOIC ACID,
492444-05-0,
Benzoicacid, 6-fluoro-2,3-dihydroxy-,
SCHEMBL186132,
CTK1D4899,
DTXSID80591906,
MFCD09038124,
ZINC90685655,
AKOS006330776,
MCULE-2516193990,
NE22166,
AC-27547,
AS-53713,
Z1834278585,
6-Fluoro-2,3-dihydroxybenzoicacid,
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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 | 172.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.111g/mol |
| Monoisotopic Mass | 172.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number