Basic information
- CAS
40024-32-6- Standard SMILES
O=[N+]([O-])c1cc2cc(O)ccc2o1- InChIKey
QKIGVICQJLBWQQ-UHFFFAOYSA-N- Molecular formula
- C8H5NO4
- Average molar mass
- 179.13 g/mol
- Monoisotopic mass
- 179.02185764
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Nitro-5-hydroxybenzofuran
- IUPAC
- 2-nitro-1-benzofuran-5-ol
- English name
- 2-nitro-5-hydroxybenzofuran
- Molecular formula
- C8H5NO4
- Molecular weight
- 179.13
Names & synonyms
2-Nitro-5-hydroxybenzofuran40024-32-6DTXSID80193085RefChem:88686DTXCID901155762-Nitrobenzofuran-5-ol2-nitro-1-benzofuran-5-ol5-Benzofuranol, 2-nitro-5-hydroxy-2-nitrobenzofuran
Database identifiers
- CAS
40024-32-6- PubChem CID
- 170265
- DTXSID
DTXSID80193085
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 160 °C · 160 °C(Solv: benzene (71-43-2))
- Boiling point
- 354.3 · 354.3±22.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.54 · 8.54±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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