Ethyl 7-(difluoromethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate - CAS 938001-08-2
Catalog: |
BB049123 |
Product Name: |
Ethyl 7-(difluoromethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate |
CAS: |
938001-08-2 |
Synonyms: |
ethyl 7-(difluoromethyl)-5-oxo-4,8-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate; Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-(difluoromethyl)-4,5-dihydro-5-oxo-, ethyl ester; ethyl 7-(difluoromethyl)-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylate |
IUPAC Name: | ethyl 7-(difluoromethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate |
Description: | Ethyl 7-(difluoromethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate (CAS# 938001-08-2 ) is a useful research chemical. |
Molecular Weight: | 257.19 |
Molecular Formula: | C10H9F2N3O3 |
Canonical SMILES: | CCOC(=O)C1=NN2C(=CC(=O)NC2=C1)C(F)F |
InChI: | InChI=1S/C10H9F2N3O3/c1-2-18-10(17)5-3-7-13-8(16)4-6(9(11)12)15(7)14-5/h3-4,9H,2H2,1H3,(H,13,16) |
InChI Key: | SKBFJMOHYCZTMW-UHFFFAOYSA-N |
Boiling Point: | 347.2±42.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.06119748 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.06119748 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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