5-(Trifluoromethyl)salicylaldehyde - CAS 210039-65-9
Catalog: |
BB016531 |
Product Name: |
5-(Trifluoromethyl)salicylaldehyde |
CAS: |
210039-65-9 |
Synonyms: |
2-hydroxy-5-(trifluoromethyl)benzaldehyde; 2-hydroxy-5-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 2-hydroxy-5-(trifluoromethyl)benzaldehyde |
Description: | 5-(Trifluoromethyl)salicylaldehyde (CAS# 210039-65-9) is a useful research chemical. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C=O)O |
InChI: | InChI=1S/C8H5F3O2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-4,13H |
InChI Key: | BXQPCQLNANMZFL-UHFFFAOYSA-N |
LogP: | 2.22350 |
Publication Number | Title | Priority Date |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
WO-2020118307-A1 | Fluorous metal chelates compositions | 20181207 |
WO-2020054670-A1 | Novel heteroaromatic amide derivative and medicine containing same | 20180910 |
JP-WO2020054670-A1 | New heteroaromatic amide derivatives and pharmaceuticals containing them | 20180910 |
WO-2016156282-A1 | Novel triazole compounds for controlling phytopathogenic harmful fungi | 20150402 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02416388 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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