4-Chloro-1-(methylpropyl)pyrazole - CAS 1229623-54-4
Catalog: |
BB053314 |
Product Name: |
4-Chloro-1-(methylpropyl)pyrazole |
CAS: |
1229623-54-4 |
Synonyms: |
1-sec-butyl-4-chloro-1H-pyrazole |
IUPAC Name: | 1-butan-2-yl-4-chloropyrazole |
Molecular Weight: | 158.63 |
Molecular Formula: | C7H11ClN2 |
Canonical SMILES: | CCC(C)N1C=C(C=N1)Cl |
InChI: | InChI=1S/C7H11ClN2/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3 |
InChI Key: | YRQSBDOWXVRSIK-UHFFFAOYSA-N |
Boiling Point: | 210.3±13.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0610761 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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