Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate - CAS 400877-58-9
Catalog: |
BB049355 |
Product Name: |
Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate |
CAS: |
400877-58-9 |
Synonyms: |
methyl4-bromo-1-ethyl-1H-pyrazole-3-carboxylate |
IUPAC Name: | methyl 4-bromo-1-ethylpyrazole-3-carboxylate |
Description: | Methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate (CAS# 400877-58-9 ) is a useful research chemical. |
Molecular Weight: | 233.06 |
Molecular Formula: | C7H9BrN2O2 |
Canonical SMILES: | CCN1C=C(C(=N1)C(=O)OC)Br |
InChI: | InChI=1S/C7H9BrN2O2/c1-3-10-4-5(8)6(9-10)7(11)12-2/h4H,3H2,1-2H3 |
InChI Key: | CTILOLAZJZKWKA-UHFFFAOYSA-N |
Boiling Point: | 288.9±20.0 °C (Predicted) |
Purity: | 95 % |
Density: | 1.58±0.1 g/cm3(Predicted) |
Appearance: | Solid |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.98474 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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