Basic information
- Standard SMILES
Oc1cc(Br)c2c(I)n[nH]c2c1- InChIKey
ZXEDXBNQPYGPFH-UHFFFAOYSA-N- Molecular formula
- C7H4BrIN2O
- Average molar mass
- 338.93 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-iodo-1H-indazol-6-OL
- IUPAC
- 4-bromo-3-iodo-2H-indazol-6-ol
- English name
- 4-Bromo-6-hydroxy-3-iodo (1H)indazole
- Molecular formula
- C7H4BrIN2O
- Molecular weight
- 338.93
Names & synonyms
4-BROMO-3-IODO-1H-INDAZOL-6-OL887568-93-64-bromo-3-iodo-2H-indazol-6-ol1H-Indazol-6-ol, 4-bromo-3-iodo-4-Bromo-6-hydroxy-3-iodo (1H)indazole
Database identifiers
- CAS
887568-93-6
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 484.4 · 484.4±40.0 °C(Predicted)
- Density
- 2.571 · 2.571±0.06 g/cm3(Predicted)
- pka
- 7.95 · 7.95±0.40(Predicted)
Chemistry & industry
Suppliers3 total
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
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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