4-Methoxy-6-(trifluoromethyl)nicotinic Acid - CAS 1105988-65-5
Catalog: |
BB002652 |
Product Name: |
4-Methoxy-6-(trifluoromethyl)nicotinic Acid |
CAS: |
1105988-65-5 |
Synonyms: |
4-methoxy-6-(trifluoromethyl)-3-pyridinecarboxylic acid; 4-methoxy-6-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 4-methoxy-6-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 4-Methoxy-6-(trifluoromethyl)nicotinic Acid (CAS# 1105988-65-5 ) is a useful research chemical. |
Molecular Weight: | 221.13 |
Molecular Formula: | C8H6F3NO3 |
Canonical SMILES: | COC1=CC(=NC=C1C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C8H6F3NO3/c1-15-5-2-6(8(9,10)11)12-3-4(5)7(13)14/h2-3H,1H3,(H,13,14) |
InChI Key: | XCWKLVBHARRUAL-UHFFFAOYSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02997754 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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