Basic information
- Standard SMILES
CCc1cc(Cl)c(I)cc1C(=O)O- InChIKey
YMVRAPRGCQLWBP-UHFFFAOYSA-N- Molecular formula
- C9H8ClIO2
- Average molar mass
- 310.51 g/mol
- Monoisotopic mass
- 309.92575
Names & identifiers
- Preferred name
- 4-Chloro-2-ethyl-5-iodobenzoic acid
- IUPAC
- 4-chloro-2-ethyl-5-iodobenzoic acid
Names & synonyms
4-chloro-2-ethyl-5-iodobenzoic acidSCHEMBL12488764YMVRAPRGCQLWBP-UHFFFAOYSA-NDB-1954851399183-99-3
Database identifiers
- PubChem CID
- 68288657
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
1 records
Compound notes
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