4-Chloro-1,3-dimethylpyrazole - CAS 15878-44-1
Catalog: |
BB053570 |
Product Name: |
4-Chloro-1,3-dimethylpyrazole |
CAS: |
15878-44-1 |
Synonyms: |
1H-Pyrazole, 4-chloro-1,3-dimethyl-; 1,3-dimethyl-4-chloropyrazole |
IUPAC Name: | 4-chloro-1,3-dimethylpyrazole |
Molecular Weight: | 130.57 |
Molecular Formula: | C5H7ClN2 |
Canonical SMILES: | CC1=NN(C=C1Cl)C |
InChI: | InChI=1S/C5H7ClN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3 |
InChI Key: | OILOPOQPXXGBIR-UHFFFAOYSA-N |
Boiling Point: | 184.9±20.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Liquid |
Complexity: | 86.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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