6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid - CAS 1261786-21-3
Catalog: |
BB055621 |
Product Name: |
6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid |
CAS: |
1261786-21-3 |
Synonyms: |
6-CHLORO-2-(2-TRIFLUOROMETHYLPHENYL)BENZOIC ACID; 2-chloro-6-[2-(trifluoromethyl)phenyl]benzoic acid; 6-CHLORO-2-(2-TRIFLUOROMETHYLPHENYL)BENZOICACID; 3-Chloro-2'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid |
IUPAC Name: | 2-chloro-6-[2-(trifluoromethyl)phenyl]benzoic acid |
Description: | 6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid |
Molecular Weight: | 300.66 |
Molecular Formula: | C14H8ClF3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=C(C(=CC=C2)Cl)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C14H8ClF3O2/c15-11-7-3-5-9(12(11)13(19)20)8-4-1-2-6-10(8)14(16,17)18/h1-7H,(H,19,20) |
InChI Key: | VEJUIMJALZMFCC-UHFFFAOYSA-N |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.0164917 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.0164917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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