Basic information
- Standard SMILES
COC(=O)c1cc(I)cc(Cl)c1N- InChIKey
ILDAJGVKPFOKBT-UHFFFAOYSA-N- Molecular formula
- C8H7ClINO2
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 310.921
Names & identifiers
- Preferred name
- Methyl 2-amino-3-chloro-5-iodobenzoate
- IUPAC
- methyl 2-amino-3-chloro-5-iodobenzoate
Names & synonyms
methyl 2-amino-3-chloro-5-iodobenzoate1070977-94-42-amino-3-chloro-5-iodo-benzoic acid methyl esterMFCD31672754methyl 2-amino-3-chloro-5-iodo-benzoateSCHEMBL3574538ILDAJGVKPFOKBT-UHFFFAOYSA-NDB-386012G10971
Database identifiers
- PubChem CID
- 57731504
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
4 records
Compound notes
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