4-Bromo-1H-1,2,3-triazole - CAS 40964-56-5
Catalog: |
BB071919 |
Product Name: |
4-Bromo-1H-1,2,3-triazole |
CAS: |
40964-56-5 |
Synonyms: |
4-bromo-1H-1,2,3-triazole; 4-Bromo-2H-1,2,3-triazole; 5-Bromo-1H-1,2,3-triazole; 4-bromo-2H-triazole; 4-Bromo-1,2,3-triazole |
IUPAC Name: | 4-bromo-2H-triazole |
Molecular Weight: | 146.94 |
Molecular Formula: | C2H2BrN3 |
Canonical SMILES: | C1=NNN=C1Br |
InChI: | InChI=1S/C2H2BrN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6) |
InChI Key: | XNUQYVZLPNJLES-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.94321 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.94321 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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