4-Bromo-6-hydroxy-1H-indazole-3-carboxylic acid
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Basic information
- CAS
887568-98-1- Standard SMILES
O=C(O)c1n[nH]c2cc(O)cc(Br)c12- InChIKey
WEZCGTWIZVAYEX-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O3
- Average molar mass
- 257.04 g/mol
- Monoisotopic mass
- 255.94835
Names & identifiers
- Preferred name
- 4-Bromo-6-hydroxy-1H-indazole-3-carboxylic acid
- IUPAC
- 4-bromo-6-hydroxy-1H-indazole-3-carboxylic acid
- English name
- 4-BROMO-6-HYDROXY-3-(1H)INDAZOLE CARBOXYLIC ACID
- Molecular formula
- C8H5BrN2O3
- Molecular weight
- 257.04
Names & synonyms
4-BROMO-6-HYDROXY-1H-INDAZOLE-3-CARBOXYLIC ACID887568-98-11h-indazole-3-carboxylic acid,4-bromo-6-hydroxy-4-BROMO-6-HYDROXY-3-(1H)INDAZOLE CARBOXYLIC ACID1H-Indazole-3-carboxylic acid, 4-bromo-6-hydroxy-
Database identifiers
- CAS
887568-98-1- PubChem CID
- 135890229
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 573.1 · 573.1±45.0 °C(Predicted)
- Density
- 2.102 · 2.102±0.06 g/cm3(Predicted)
- pka
- 1.83 · 1.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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