(1,4-Dimethyl-3-nitro-1H-pyrazol-5-yl)methanol - CAS 1946823-75-1
Catalog: |
BB051514 |
Product Name: |
(1,4-Dimethyl-3-nitro-1H-pyrazol-5-yl)methanol |
CAS: |
1946823-75-1 |
Synonyms: |
1H-Pyrazole-5-methanol, 1,4-dimethyl-3-nitro- |
IUPAC Name: | (2,4-dimethyl-5-nitropyrazol-3-yl)methanol |
Molecular Weight: | 171.15 |
Molecular Formula: | C6H9N3O3 |
Canonical SMILES: | CC1=C(N(N=C1[N+](=O)[O-])C)CO |
InChI: | InChI=1S/C6H9N3O3/c1-4-5(3-10)8(2)7-6(4)9(11)12/h10H,3H2,1-2H3 |
InChI Key: | RIRBREJZVWHREZ-UHFFFAOYSA-N |
Boiling Point: | 367.5±37.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.46±0.1 g/cm3 (Predicted) |
Complexity: | 181 |
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: | 1 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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