4-(Trifluoromethyl)oxazole-2-carboxylic Acid - CAS 1211580-23-2
Catalog: |
BB005083 |
Product Name: |
4-(Trifluoromethyl)oxazole-2-carboxylic Acid |
CAS: |
1211580-23-2 |
Synonyms: |
4-(trifluoromethyl)-2-oxazolecarboxylic acid; 4-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid |
IUPAC Name: | 4-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid |
Description: | 4-(Trifluoromethyl)oxazole-2-carboxylic Acid (CAS# 1211580-23-2 ) is a useful research chemical. |
Molecular Weight: | 181.07 |
Molecular Formula: | C5H2F3NO3 |
Canonical SMILES: | C1=C(N=C(O1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C5H2F3NO3/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11) |
InChI Key: | HGXAYWNAZDZJIM-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.99867741 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.99867741 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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