Basic information
- Standard SMILES
COC(=O)c1cc(I)c(O)c([N+](=O)[O-])c1- InChIKey
BQTWBQSSFQSPLC-UHFFFAOYSA-N- Molecular formula
- C8H6INO5
- Average molar mass
- 323.04 g/mol
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-3-iodo-5-nitrobenzoate
- IUPAC
- methyl 4-hydroxy-3-iodo-5-nitrobenzoate
Names & synonyms
methyl 4-hydroxy-3-iodo-5-nitrobenzoate597562-24-84-Hydroxy-3-iodo-5-nitro-benzoic acid methyl esterBenzoic acid, 4-hydroxy-3-iodo-5-nitro-, methyl esterSCHEMBL3353665BQTWBQSSFQSPLC-UHFFFAOYSA-NMFCD27926096AS-97040methyl 4-hydroxy-3-iodo-5-nitro-benzoateG67798F5549374-Hydroxy-3-iodo-5-nitro-benzoic acid methyl ester (9CI aci)
Database identifiers
- PubChem CID
- 21086206
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Related reactions
6 records
Compound notes
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