Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoate - CAS 1007487-54-8
Catalog: |
BB052904 |
Product Name: |
Ethyl 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoate |
CAS: |
1007487-54-8 |
Synonyms: |
ethyl 2-(4-chloro-3,5-dimethylpyrazolyl)propanoate |
IUPAC Name: | ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoate |
Molecular Weight: | 230.69 |
Molecular Formula: | C10H15ClN2O2 |
Canonical SMILES: | CCOC(=O)C(C)N1C(=C(C(=N1)C)Cl)C |
InChI: | InChI=1S/C10H15ClN2O2/c1-5-15-10(14)8(4)13-7(3)9(11)6(2)12-13/h8H,5H2,1-4H3 |
InChI Key: | OUJTYFQVVDBRPV-UHFFFAOYSA-N |
Boiling Point: | 303.9±42.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0822054 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0822054 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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