Basic information
- Standard SMILES
COC(=O)c1cc(N)c(O)c(I)c1- InChIKey
LBZLWLWHPNOUBZ-UHFFFAOYSA-N- Molecular formula
- C8H8INO3
- Average molar mass
- 293.06 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-4-hydroxy-5-iodobenzoate
- IUPAC
- methyl 3-amino-4-hydroxy-5-iodobenzoate
Names & synonyms
methyl 3-amino-4-hydroxy-5-iodobenzoate597562-25-9SCHEMBL3356220LBZLWLWHPNOUBZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21086158
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
5 records
Compound notes
Loading…