3-Methoxy-5-(trifluoromethoxy)benzoic acid - CAS 1261442-97-0
Catalog: |
BB060020 |
Product Name: |
3-Methoxy-5-(trifluoromethoxy)benzoic acid |
CAS: |
1261442-97-0 |
Synonyms: |
3-Methoxy-5-(trifluoromethoxy)benzoic acid; 3-Methoxy-5-(trifluoromethoxy)benzoicacid |
IUPAC Name: | 3-methoxy-5-(trifluoromethoxy)benzoic acid |
Description: | 3-Methoxy-5-(trifluoromethoxy)benzoic acid |
Molecular Weight: | 236.15 |
Molecular Formula: | C9H7F3O4 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C9H7F3O4/c1-15-6-2-5(8(13)14)3-7(4-6)16-9(10,11)12/h2-4H,1H3,(H,13,14) |
InChI Key: | WKKAZBSQUVIUFA-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.02964319 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.02964319 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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