4-Fluoro-3-(3-trifluoromethoxyphenyl)benzoic acid - CAS 1261831-44-0
Catalog: |
BB064823 |
Product Name: |
4-Fluoro-3-(3-trifluoromethoxyphenyl)benzoic acid |
CAS: |
1261831-44-0 |
Synonyms: |
4-FLUORO-3-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID; 4-fluoro-3-[3-(trifluoromethoxy)phenyl]benzoic acid |
IUPAC Name: | 4-fluoro-3-[3-(trifluoromethoxy)phenyl]benzoic acid |
Description: | 4-Fluoro-3-(3-trifluoromethoxyphenyl)benzoic acid |
Molecular Weight: | 300.21 |
Molecular Formula: | C14H8F4O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)C2=C(C=CC(=C2)C(=O)O)F |
InChI: | InChI=1S/C14H8F4O3/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20) |
InChI Key: | BRSDOXGZEIXWNW-UHFFFAOYSA-N |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.04095676 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.04095676 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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