2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethanol - CAS 1630763-72-2
Catalog: |
BB051440 |
Product Name: |
2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethanol |
CAS: |
1630763-72-2 |
Synonyms: |
2-(3-Bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol; 1H-1,2,4-Triazole-1-ethanol, 3-bromo- |
IUPAC Name: | 2-(3-bromo-1,2,4-triazol-1-yl)ethanol |
Molecular Weight: | 192.01 |
Molecular Formula: | C4H6BrN3O |
Canonical SMILES: | C1=NC(=NN1CCO)Br |
InChI: | InChI=1S/C4H6BrN3O/c5-4-6-3-8(7-4)1-2-9/h3,9H,1-2H2 |
InChI Key: | ZEPXNJVUSUIGPD-UHFFFAOYSA-N |
Boiling Point: | 359.5±44.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 2.0±0.1 g/cm3 |
Complexity: | 91.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.96942 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.96942 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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