4-Chloro-3-(chloromethyl)-1-ethyl-1H-pyrazole - CAS 1429419-10-2
Catalog: |
BB052231 |
Product Name: |
4-Chloro-3-(chloromethyl)-1-ethyl-1H-pyrazole |
CAS: |
1429419-10-2 |
Synonyms: |
4-chloro-3-(chloromethyl)-1-ethyl-1H-pyrazole |
IUPAC Name: | 4-chloro-3-(chloromethyl)-1-ethylpyrazole |
Molecular Weight: | 179.04 |
Molecular Formula: | C6H8Cl2N2 |
Canonical SMILES: | CCN1C=C(C(=N1)CCl)Cl |
InChI: | InChI=1S/C6H8Cl2N2/c1-2-10-4-5(8)6(3-7)9-10/h4H,2-3H2,1H3 |
InChI Key: | GQUOZSMMOGEVOT-UHFFFAOYSA-N |
Boiling Point: | 264.8±25.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0064537 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0064537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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