| CAS Number | 847943-90-2 |
| Catalog Number | AG01C4XY(AGN-PC-0I5PXB) |
| Chemical Name | tert-butyl 4-fluoro-3-hydroxybenzoate |
| IUPAC Name | tert-butyl 4-fluoro-3-hydroxybenzoate |
| InChI | InChI=1S/C11H13FO3/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6,13H,1-3H3 |
| InChI Key | DGFGYLGKUGNYMJ-UHFFFAOYSA-N |
| MDL Number | MFCD24728430 |
| Molecular Formula | C11H13FO3 |
| Molecular Weight | 212.2175 |
| SMILES | CC(OC(C1=CC(O)=C(F)C=C1)=O)(C)C |
| Synonyms | tert-butyl 4-fluoro-3-hydroxybenzoate,
847943-90-2,
SCHEMBL3744003,
DGFGYLGKUGNYMJ-UHFFFAOYSA-N,
ZINC141039876,
Benzoic acid, 4-fluoro-3-hydroxy-, 1,1-dimethylethyl ester,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.22g/mol |
| Monoisotopic Mass | 212.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number