Ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]propanoate - CAS 1823432-40-1
Catalog: |
BB050745 |
Product Name: |
Ethyl 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]propanoate |
CAS: |
1823432-40-1 |
Synonyms: |
1H-Pyrazole-1-acetic acid, 3-(difluoromethyl)-α-methyl-, ethyl ester; 2-(3-Difluoromethyl-pyrazol-1-yl)-propionic acid ethyl ester |
IUPAC Name: | ethyl 2-[3-(difluoromethyl)pyrazol-1-yl]propanoate |
Molecular Weight: | 218.20 |
Molecular Formula: | C9H12F2N2O2 |
Canonical SMILES: | CCOC(=O)C(C)N1C=CC(=N1)C(F)F |
InChI: | InChI=1S/C9H12F2N2O2/c1-3-15-9(14)6(2)13-5-4-7(12-13)8(10)11/h4-6,8H,3H2,1-2H3 |
InChI Key: | TZJIPZBARKVEKD-UHFFFAOYSA-N |
Boiling Point: | 272.9±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.26±0.1 g/cm3 (Predicted) |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.08668395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.08668395 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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