3-Methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid - CAS 425426-80-8
Catalog: |
BB049055 |
Product Name: |
3-Methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid |
CAS: |
425426-80-8 |
Synonyms: |
3-Methoxy-5-(trifluoromethyl)-2-thiophenecarboxylic acid; 2-Thiophenecarboxylic acid, 3-methoxy-5-(trifluoromethyl)- |
IUPAC Name: | 3-methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid |
Description: | 3-Methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid (CAS# 425426-80-8 ) is a useful research chemical. |
Molecular Weight: | 226.17 |
Molecular Formula: | C7H5F3O3S |
Canonical SMILES: | COC1=C(SC(=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C7H5F3O3S/c1-13-3-2-4(7(8,9)10)14-5(3)6(11)12/h2H,1H3,(H,11,12) |
InChI Key: | UDHXNKJSJKISON-UHFFFAOYSA-N |
Boiling Point: | 288.6±40.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.99114968 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.99114968 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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