(1-Ethyl-3-nitro-1H-pyrazol-5-YL)methanol - CAS 1328640-72-7
Catalog: |
BB052011 |
Product Name: |
(1-Ethyl-3-nitro-1H-pyrazol-5-YL)methanol |
CAS: |
1328640-72-7 |
Synonyms: |
(1-ethyl-3-nitropyrazol-5-yl)methan-1-ol |
IUPAC Name: | (2-ethyl-5-nitropyrazol-3-yl)methanol |
Molecular Weight: | 171.15 |
Molecular Formula: | C6H9N3O3 |
Canonical SMILES: | CCN1C(=CC(=N1)[N+](=O)[O-])CO |
InChI: | InChI=1S/C6H9N3O3/c1-2-8-5(4-10)3-6(7-8)9(11)12/h3,10H,2,4H2,1H3 |
InChI Key: | WRLXCBQBIBOACP-UHFFFAOYSA-N |
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: | -0.2 |
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