1-Tert-butyl-1H-pyrazole - CAS 15754-60-6
Catalog: |
BB053108 |
Product Name: |
1-Tert-butyl-1H-pyrazole |
CAS: |
15754-60-6 |
Synonyms: |
1-(tert-Butyl)-1H-pyrazole; (tert-butyl)pyrazole |
IUPAC Name: | 1-tert-butylpyrazole |
Molecular Weight: | 124.18 |
Molecular Formula: | C7H12N2 |
Canonical SMILES: | CC(C)(C)N1C=CC=N1 |
InChI: | InChI=1S/C7H12N2/c1-7(2,3)9-6-4-5-8-9/h4-6H,1-3H3 |
InChI Key: | QUSOBKIKODRYSH-UHFFFAOYSA-N |
Boiling Point: | 167.7±9.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 0.9±0.1 g/cm3 |
Appearance: | Liquid |
Complexity: | 93.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.100048391 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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