| CAS Number | 1214387-26-4 |
| Catalog Number | AG00HG8B(AGN-PC-0WCMIN) |
| Chemical Name | Methyl 4-hydroxy-2,3,5-trifluorobenzoate |
| IUPAC Name | methyl 2,3,5-trifluoro-4-hydroxybenzoate |
| InChI | InChI=1S/C8H5F3O3/c1-14-8(13)3-2-4(9)7(12)6(11)5(3)10/h2,12H,1H3 |
| InChI Key | ABVCVRWXIBXQHL-UHFFFAOYSA-N |
| MDL Number | MFCD14698055 |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.1187 |
| SMILES | COC(=O)c1cc(F)c(O)c(F)c1F |
| Synonyms | 1214387-26-4,
methyl 2,3,5-trifluoro-4-hydroxybenzoate,
Methyl 4-hydroxy-2,3,5-trifluorobenzoate,
SCHEMBL8979022,
KS-00003H6Y,
MFCD14698055,
ZINC47202402,
AS-8039,
FCH1386919,
PC49651,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.12g/mol |
| Monoisotopic Mass | 206.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number