2-(5-Methyl-3-nitro-1H-pyrazol-1-yl)ethanol - CAS 1006950-51-1
Catalog: |
BB048297 |
Product Name: |
2-(5-Methyl-3-nitro-1H-pyrazol-1-yl)ethanol |
CAS: |
1006950-51-1 |
Synonyms: |
2-(5-methyl-3-nitropyrazolyl)ethan-1-ol; 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol |
IUPAC Name: | 2-(5-methyl-3-nitropyrazol-1-yl)ethanol |
Description: | 2-(5-Methyl-3-nitro-1H-pyrazol-1-yl)ethanol (CAS# 1006950-51-1 ) is a useful research chemical. |
Molecular Weight: | 171.15 |
Molecular Formula: | C6H9N3O3 |
Canonical SMILES: | CC1=CC(=NN1CCO)[N+](=O)[O-] |
InChI: | InChI=1S/C6H9N3O3/c1-5-4-6(9(11)12)7-8(5)2-3-10/h4,10H,2-3H2,1H3 |
InChI Key: | SFOZXZKTONHBQJ-UHFFFAOYSA-N |
Boiling Point: | 352.0±32.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.06439116 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.06439116 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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