5-Bromo-3-(1H-imidazol-2-yl)-1H-indazole - CAS 911305-83-4
Catalog: |
BB071173 |
Product Name: |
5-Bromo-3-(1H-imidazol-2-yl)-1H-indazole |
CAS: |
911305-83-4 |
Synonyms: |
5-Bromo-3-(1H-imidazol-2-yl)-1H-indazole; 1H-Indazole, 5-bromo-3-(1H-imidazol-2-yl)-; 5-bromo-3-imidazol-2-ylidene-1,2-dihydroindazole |
IUPAC Name: | 5-bromo-3-(1H-imidazol-2-yl)-1H-indazole |
Molecular Weight: | 263.09 |
Molecular Formula: | C10H7N4Br |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=NN2)C3=NC=CN3 |
InChI: | InChI=1S/C10H7BrN4/c11-6-1-2-8-7(5-6)9(15-14-8)10-12-3-4-13-10/h1-5H,(H,12,13)(H,14,15) |
InChI Key: | ZPHRGJQCDGNHOP-UHFFFAOYSA-N |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 |
Signal Word: | Danger |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.98541 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.98541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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