Basic information
- Standard SMILES
Oc1cc(Br)c2c(Cl)n[nH]c2c1- InChIKey
KOKMIZMMANLPJQ-UHFFFAOYSA-N- Molecular formula
- C7H4BrClN2O
- Average molar mass
- 247.47 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-chloro-1H-indazol-6-OL
- IUPAC
- 4-bromo-3-chloro-2H-indazol-6-ol
- English name
- 4-Bromo-3-chloro-6-hydroxyindazole
- Molecular formula
- C7H4BrClN2O
- Molecular weight
- 247.48
Names & synonyms
4-BROMO-3-CHLORO-1H-INDAZOL-6-OL887568-89-04-bromo-3-chloro-2H-indazol-6-ol4-Bromo-3-chloro-6-hydroxyindazole1H-Indazol-6-ol, 4-bromo-3-chloro-
Database identifiers
- CAS
887568-89-0
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
- 443.1 · 443.1±40.0 °C(Predicted)
- Density
- 2.034 · 2.034±0.06 g/cm3(Predicted)
- pka
- 7.92 · 7.92±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
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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