Basic information
- Standard SMILES
Oc1cc(I)c2c(Br)n[nH]c2c1- InChIKey
UTRXUKQJINXHTJ-UHFFFAOYSA-N- Molecular formula
- C7H4BrIN2O
- Average molar mass
- 338.93 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-4-iodo-1H-indazol-6-ol
- IUPAC
- 3-bromo-4-iodo-2H-indazol-6-ol
- English name
- 4-Iodo-6-hydroxy-3-bromo (1H)indazole
- Molecular formula
- C7H4BrIN2O
- Molecular weight
- 338.93
Names & synonyms
3-Bromo-4-iodo-1H-indazol-6-ol887570-23-23-bromo-4-iodo-2H-indazol-6-ol1H-Indazol-6-ol, 3-bromo-4-iodo-4-Iodo-6-hydroxy-3-bromo (1H)indazole
Database identifiers
- CAS
887570-23-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 501.1 · 501.1±50.0 °C(Predicted)
- Density
- 2.571 · 2.571±0.06 g/cm3(Predicted)
- pka
- 7.98 · 7.98±0.40(Predicted)
Chemistry & industry
Suppliers2 total
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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