3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic Acid - CAS 1092400-82-2
Catalog: |
BB002413 |
Product Name: |
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic Acid |
CAS: |
1092400-82-2 |
Synonyms: |
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid; 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid |
IUPAC Name: | 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid |
Description: | 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic Acid (CAS# 1092400-82-2) is a useful research chemical. |
Molecular Weight: | 258.15 |
Molecular Formula: | C10H5F3N2O3 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=NOC(=N2)C(F)(F)F |
InChI: | InChI=1S/C10H5F3N2O3/c11-10(12,13)9-14-7(15-18-9)5-2-1-3-6(4-5)8(16)17/h1-4H,(H,16,17) |
InChI Key: | ZTOAUVQUTVRHBJ-UHFFFAOYSA-N |
Boiling Point: | 365.2 °C at 760 mmHg |
Density: | 1.518 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD09907879 |
LogP: | 2.45360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3393458-A1 | METHODS OF USE OF A CLASS llA HDAC INHIBITOR | 20151222 |
JP-2019504029-A | Method of using class IIA HDAC inhibitors | 20151222 |
WO-2017112838-A1 | METHODS OF USE OF A CLASS llA HDAC INHIBITOR | 20151222 |
US-2020268720-A1 | Methods of use of a class iia hdac inhibitor | 20151222 |
WO-2013006408-A1 | Compounds and methods | 20110701 |
PMID | Publication Date | Title | Journal |
19053778 | 20081225 | Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41 | Journal of medicinal chemistry |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.02522651 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.02522651 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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