(3-Bromo-1H-pyrazol-1-yl)methanol - CAS 1039454-62-0
Catalog: |
BB051406 |
Product Name: |
(3-Bromo-1H-pyrazol-1-yl)methanol |
CAS: |
1039454-62-0 |
Synonyms: |
3-Bromo-1-(hydroxymethyl)pyrazole; 1H-Pyrazole-1-methanol, 3-bromo- |
IUPAC Name: | (3-bromopyrazol-1-yl)methanol |
Molecular Weight: | 177.00 |
Molecular Formula: | C4H5BrN2O |
Canonical SMILES: | C1=CN(N=C1Br)CO |
InChI: | InChI=1S/C4H5BrN2O/c5-4-1-2-7(3-8)6-4/h1-2,8H,3H2 |
InChI Key: | QSYLNQAACHKFFR-UHFFFAOYSA-N |
Boiling Point: | 280.6±20.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.89±0.1 g/cm3 (Predicted) |
Complexity: | 80.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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