7-(Difluoromethyl)-5-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 1018053-78-5
Catalog: |
BB048108 |
Product Name: |
7-(Difluoromethyl)-5-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
1018053-78-5 |
Synonyms: |
7-(difluoromethyl)-5-(4-methoxyphenyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 7-(difluoromethyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 7-(Difluoromethyl)-5-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 1018053-78-5 ) is a useful research chemical. |
Molecular Weight: | 320.25 |
Molecular Formula: | C14H10F2N4O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)F)C(=O)O |
InChI: | InChI=1S/C14H10F2N4O3/c1-23-8-4-2-7(3-5-8)9-6-10(11(15)16)20-14(17-9)18-12(19-20)13(21)22/h2-6,11H,1H3,(H,21,22) |
InChI Key: | VQZJUBUSILTJCW-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.07209652 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.07209652 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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