6-Bromopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one - CAS 888721-83-3
Catalog: |
BB071967 |
Product Name: |
6-Bromopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one |
CAS: |
888721-83-3 |
Synonyms: |
6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one; 6-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 6-bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 6-bromopyrrolo[2,1-f][1,2,4]triazin-4-ol; Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 6-bromo- |
IUPAC Name: | 6-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
Molecular Weight: | 214.02 |
Molecular Formula: | C6H4BrN3O |
Canonical SMILES: | C1=C2C(=O)NC=NN2C=C1Br |
InChI: | InChI=1S/C6H4BrN3O/c7-4-1-5-6(11)8-3-9-10(5)2-4/h1-3H,(H,8,9,11) |
InChI Key: | ISWMRQCCABXILJ-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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.95377 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.95377 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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