Basic information
- CAS
90888-05-4- Standard SMILES
CCC(Oc1cccc(I)c1)C(=O)O- InChIKey
DCHNFVBSCVDDNR-UHFFFAOYSA-N- Molecular formula
- C10H11IO3
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.97529
Names & identifiers
- Preferred name
- 2-(3-Iodophenoxy)butanoic acid
- IUPAC
- 2-(3-iodophenoxy)butanoic acid
- English name
- 2-(3-iodophenoxy)butanoic acid
- Molecular formula
- C10H11IO3
- Molecular weight
- 0
Names & synonyms
2-(3-iodophenoxy)butanoic acid90888-05-4DTXSID00920092RefChem:1061094DTXCID8013490112-(m-Iodophenoxy)butyric acidBRN 2526292BUTYRIC ACID, 2-(m-IODOPHENOXY)-4-06-00-01074 (Beilstein Handbook Reference)
Database identifiers
- CAS
90888-05-4- PubChem CID
- 56148
- DTXSID
DTXSID00920092
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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