[7-(4-Fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid - CAS 1160245-79-3
Catalog: |
BB052992 |
Product Name: |
[7-(4-Fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid |
CAS: |
1160245-79-3 |
Synonyms: |
[7-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]aceticacid |
IUPAC Name: | 2-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid |
Molecular Weight: | 272.23 |
Molecular Formula: | C13H9FN4O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)CC(=O)O)F |
InChI: | InChI=1S/C13H9FN4O2/c14-9-3-1-8(2-4-9)10-5-6-15-13-16-11(7-12(19)20)17-18(10)13/h1-6H,7H2,(H,19,20) |
InChI Key: | SCUIFXPXRGHOTQ-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.0709537 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.0709537 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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