3-(5-(Furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - CAS 1018166-13-6
Catalog: |
BB052803 |
Product Name: |
3-(5-(Furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid |
CAS: |
1018166-13-6 |
Synonyms: |
3-(5-(Furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoicacid |
IUPAC Name: | 3-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 326.23 |
Molecular Formula: | C13H9F3N4O3 |
Canonical SMILES: | C1=COC(=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C13H9F3N4O3/c14-13(15,16)9-6-7(8-2-1-5-23-8)17-12-18-10(19-20(9)12)3-4-11(21)22/h1-2,5-6H,3-4H2,(H,21,22) |
InChI Key: | XSVONBNYMWDCAD-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.06267465 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.06267465 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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