5-(Difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 1823843-51-1
Catalog: |
BB050733 |
Product Name: |
5-(Difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
1823843-51-1 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(difluoromethyl)- |
IUPAC Name: | 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Molecular Weight: | 213.14 |
Molecular Formula: | C8H5F2N3O2 |
Canonical SMILES: | C1=CN2C(=CC(=N2)C(=O)O)N=C1C(F)F |
InChI: | InChI=1S/C8H5F2N3O2/c9-7(10)4-1-2-13-6(11-4)3-5(12-13)8(14)15/h1-3,7H,(H,14,15) |
InChI Key: | AZZHVBZJJHJQRM-UHFFFAOYSA-N |
Purity: | ≥95% |
Density: | 1.70±0.1 g/cm3 (Predicted) |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.03498273 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.03498273 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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