4-Hydroxy-3-(trifluoromethyl)benzoic Acid - CAS 220239-68-9
Catalog: |
BB017292 |
Product Name: |
4-Hydroxy-3-(trifluoromethyl)benzoic Acid |
CAS: |
220239-68-9 |
Synonyms: |
4-hydroxy-3-(trifluoromethyl)benzoic acid; 4-hydroxy-3-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-hydroxy-3-(trifluoromethyl)benzoic acid |
Description: | 4-Hydroxy-3-(trifluoromethyl)benzoic Acid (CAS# 220239-68-9) is a useful research chemical. |
Molecular Weight: | 206.12 |
Molecular Formula: | C8H5F3O3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)C(F)(F)F)O |
InChI: | InChI=1S/C8H5F3O3/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3,12H,(H,13,14) |
InChI Key: | DPVRVZQEDJVWLS-UHFFFAOYSA-N |
Boiling Point: | 301.7 °C at 760 mmHg |
Density: | 1.539 g/cm3 |
Appearance: | White powder |
MDL: | MFCD01091008 |
LogP: | 2.10920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020051378-A1 | Compounds useful in the treatment of autoimmune and inflammatory disorders | 20180906 |
CN-112955431-A | Compounds useful for the treatment of autoimmune and inflammatory disorders | 20180906 |
EP-3847158-A1 | Compounds useful in the treatment of autoimmune and inflammatory disorders | 20180906 |
KR-20210074291-A | Compounds useful for the treatment of autoimmune and inflammatory disorders | 20180906 |
US-2021139521-A1 | Diaryl trehalose compounds and uses thereof | 20180221 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.01907850 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.01907850 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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