4-Bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carbaldehyde - CAS 1782334-54-6
Catalog: |
BB051311 |
Product Name: |
4-Bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carbaldehyde |
CAS: |
1782334-54-6 |
Synonyms: |
1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-methyl-3-(1-methylethyl)- |
IUPAC Name: | 4-bromo-2-methyl-5-propan-2-ylpyrazole-3-carbaldehyde |
Molecular Weight: | 231.09 |
Molecular Formula: | C8H11BrN2O |
Canonical SMILES: | CC(C)C1=NN(C(=C1Br)C=O)C |
InChI: | InChI=1S/C8H11BrN2O/c1-5(2)8-7(9)6(4-12)11(3)10-8/h4-5H,1-3H3 |
InChI Key: | FYFGIWURFPAEFN-UHFFFAOYSA-N |
Boiling Point: | 300.2±42.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.00548 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.00548 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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