Basic information
- Standard SMILES
CCC(C(=O)O)c1ccccc1I- InChIKey
UNUWYDGLEJEZFU-UHFFFAOYSA-N- Molecular formula
- C10H11IO2
- Average molar mass
- 290.1 g/mol
- Monoisotopic mass
- 289.98038
Names & identifiers
- Preferred name
- 2-(2-Iodophenyl)butanoic acid
- IUPAC
- 2-(2-iodophenyl)butanoic acid
Names & synonyms
2-(2-iodophenyl)butanoic acid142569-61-7SCHEMBL1964214SCHEMBL31716228UNUWYDGLEJEZFU-UHFFFAOYSA-NDA-21016
Database identifiers
- PubChem CID
- 22456433
- Nikkaji
- J2.853.559G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Related reactions
8 records
Compound notes
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