4-Chloro-5-(chloromethyl)-1-methyl-1H-pyrazole - CAS 129308-95-8
Catalog: |
BB051485 |
Product Name: |
4-Chloro-5-(chloromethyl)-1-methyl-1H-pyrazole |
CAS: |
129308-95-8 |
Synonyms: |
1H-Pyrazole, 4-chloro-5-(chloromethyl)-1-methyl-; 1-methyl-4-chloro-5-chloromethylpyrazole |
IUPAC Name: | 4-chloro-5-(chloromethyl)-1-methylpyrazole |
Molecular Weight: | 165.02 |
Molecular Formula: | C5H6Cl2N2 |
Canonical SMILES: | CN1C(=C(C=N1)Cl)CCl |
InChI: | InChI=1S/C5H6Cl2N2/c1-9-5(2-6)4(7)3-8-9/h3H,2H2,1H3 |
InChI Key: | GTGZOCWLUXFNDB-UHFFFAOYSA-N |
Boiling Point: | 252.4±25.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 99 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.9908036 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.9908036 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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