(3-Bromo-1H-1,2,4-triazol-1-yl)methanol - CAS 1674390-16-9
Catalog: |
BB051405 |
Product Name: |
(3-Bromo-1H-1,2,4-triazol-1-yl)methanol |
CAS: |
1674390-16-9 |
Synonyms: |
1H-1,2,4-Triazole-1-methanol, 3-bromo- |
IUPAC Name: | (3-bromo-1,2,4-triazol-1-yl)methanol |
Molecular Weight: | 177.99 |
Molecular Formula: | C3H4BrN3O |
Canonical SMILES: | C1=NC(=NN1CO)Br |
InChI: | InChI=1S/C3H4BrN3O/c4-3-5-1-7(2-8)6-3/h1,8H,2H2 |
InChI Key: | WPLFYCKYTUCQAK-UHFFFAOYSA-N |
Boiling Point: | 350.2±44.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 2.2±0.1 g/cm3 |
Complexity: | 80.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.95377 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.95377 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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