(1-Methyl-3-nitro-1H-pyrazol-5-yl)methanol - CAS 1227210-46-9
Catalog: |
BB051744 |
Product Name: |
(1-Methyl-3-nitro-1H-pyrazol-5-yl)methanol |
CAS: |
1227210-46-9 |
Synonyms: |
(1-methyl-3-nitropyrazol-5-yl)methan-1-ol |
IUPAC Name: | (2-methyl-5-nitropyrazol-3-yl)methanol |
Molecular Weight: | 157.13 |
Molecular Formula: | C5H7N3O3 |
Canonical SMILES: | CN1C(=CC(=N1)[N+](=O)[O-])CO |
InChI: | InChI=1S/C5H7N3O3/c1-7-4(3-9)2-5(6-7)8(10)11/h2,9H,3H2,1H3 |
InChI Key: | OZBKYTILKPDFDU-UHFFFAOYSA-N |
Purity: | 95% |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.04874109 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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