2-Chloro-4-[2-(trifluoromethoxy)phenyl]benzoic acid - CAS 1261840-24-7
Catalog: |
BB055623 |
Product Name: |
2-Chloro-4-[2-(trifluoromethoxy)phenyl]benzoic acid |
CAS: |
1261840-24-7 |
Synonyms: |
2-Chloro-4-[2-(trifluoromethoxy)phenyl]benzoic acid; 2-Chloro-4-[2-(trifluoromethoxy)phenyl]benzoicacid; 3-Chloro-2'-(trifluoromethoxy)[1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 2-chloro-4-[2-(trifluoromethoxy)phenyl]benzoic acid |
Description: | 2-Chloro-4-[2-(trifluoromethoxy)phenyl]benzoic acid |
Molecular Weight: | 316.66 |
Molecular Formula: | C14H8ClF3O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC(=C(C=C2)C(=O)O)Cl)OC(F)(F)F |
InChI: | InChI=1S/C14H8ClF3O3/c15-11-7-8(5-6-10(11)13(19)20)9-3-1-2-4-12(9)21-14(16,17)18/h1-7H,(H,19,20) |
InChI Key: | BFKFRIGCWWRDCK-UHFFFAOYSA-N |
Complexity: | 375 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.0114063 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.0114063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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