3-Bromo-4-hydroxy-5-iodobenzonitrile
Basic information
- CAS
3336-26-3- Standard SMILES
N#Cc1cc(Br)c(O)c(I)c1- InChIKey
WLQYCVYQRFCPSX-UHFFFAOYSA-N- Molecular formula
- C7H3BrINO
- Average molar mass
- 323.91 g/mol
- Monoisotopic mass
- 322.84427
Names & identifiers
- Preferred name
- 3-Bromo-4-hydroxy-5-iodobenzonitrile
- IUPAC
- 3-bromo-4-hydroxy-5-iodobenzonitrile
- English name
- 3-bromo-4-hydroxy-5-iodobenzonitrile
- Molecular formula
- C7H3BrINO
- Molecular weight
- 323.91329
Names & synonyms
3-Bromo-4-hydroxy-5-iodobenzonitrile3336-26-3EINECS 222-070-3DTXSID50954988RefChem:93163DTXCID00201459222-070-3WLQYCVYQRFCPSX-UHFFFAOYSA-NNS000831663-Bromo-5-iodo-4-hydroxybenzonitrile
Database identifiers
- CAS
3336-26-3- PubChem CID
- 76855
- DTXSID
DTXSID50954988- EC Number
- 222-070-3
- Nikkaji
- J205.423J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
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Related reactions
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Compound notes
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