2-Hydroxy-3-(trifluoromethoxy)benzoic acid - CAS 773873-50-0
Catalog: |
BB042525 |
Product Name: |
2-Hydroxy-3-(trifluoromethoxy)benzoic acid |
CAS: |
773873-50-0 |
Synonyms: |
2-Hydroxy-3-trifluoromethoxy-benzoic acid; Benzoic acid, 2-hydroxy-3-(trifluoromethoxy)-; AK-79000 |
IUPAC Name: | 2-hydroxy-3-(trifluoromethoxy)benzoic acid |
Description: | 2-Hydroxy-3-(trifluoromethoxy)benzoic acid (CAS# 773873-50-0 ) is a useful research chemical. |
Molecular Weight: | 222.12 |
Molecular Formula: | C8H5F3O4 |
Canonical SMILES: | C1=CC(=C(C(=C1)OC(F)(F)F)O)C(=O)O |
InChI: | InChI=1S/C8H5F3O4/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3,12H,(H,13,14) |
InChI Key: | SDFAGXLFYRIEBD-UHFFFAOYSA-N |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.01399312 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.01399312 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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