3-Cyano-5-(trifluoromethyl)benzoic Acid - CAS 942077-16-9
Catalog: |
BB041229 |
Product Name: |
3-Cyano-5-(trifluoromethyl)benzoic Acid |
CAS: |
942077-16-9 |
Synonyms: |
3-cyano-5-(trifluoromethyl)benzoic acid; 3-cyano-5-(trifluoromethyl)benzoic acid |
IUPAC Name: | 3-cyano-5-(trifluoromethyl)benzoic acid |
Description: | 3-Cyano-5-(trifluoromethyl)benzoic Acid (CAS# 942077-16-9) is a useful research chemical. |
Molecular Weight: | 215.13 |
Molecular Formula: | C9H4F3NO2 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C#N |
InChI: | InChI=1S/C9H4F3NO2/c10-9(11,12)7-2-5(4-13)1-6(3-7)8(14)15/h1-3H,(H,14,15) |
InChI Key: | CILFQQDMSXNYDM-UHFFFAOYSA-N |
LogP: | 2.27528 |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
AU-2013211707-A1 | Substituted phenylimidazopyrazoles and use thereof | 20120125 |
EP-2807162-A1 | Substituted phenylimidazopyrazoles and use thereof | 20120125 |
EP-2807162-B1 | Substituted phenylimidazopyrazoles and use thereof | 20120125 |
JP-2015504904-A | Substituted phenylimidazopyrazoles and uses thereof | 20120125 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.01941286 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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