Basic information
- Standard SMILES
COC(=O)c1cc(N)c(I)c(O)c1- InChIKey
ZLPHGDLDEVBSRZ-UHFFFAOYSA-N- Molecular formula
- C8H8INO3
- Average molar mass
- 293.06 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-5-hydroxy-4-iodobenzoate
- IUPAC
- methyl 3-amino-5-hydroxy-4-iodobenzoate
Names & synonyms
methyl 3-amino-5-hydroxy-4-iodobenzoate909854-11-1SCHEMBL2961959ZLPHGDLDEVBSRZ-UHFFFAOYSA-NDB-183281EN300-83332203-Amino-5-hydroxy-4-iodobenzoic acid methyl ester3-Amino-5-hydroxy-4-iodo-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 68458438
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
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