Basic information
- CAS
90917-54-7- Standard SMILES
O=C(O)CCCOc1ccc(I)cc1I- InChIKey
ZSRJQQVIBWZFFE-UHFFFAOYSA-N- Molecular formula
- C10H10I2O3
- Average molar mass
- 431.99 g/mol
- Monoisotopic mass
- 431.87194
Names & identifiers
- Preferred name
- Butyric acid, 4-(2,4-diiodophenoxy)-
- IUPAC
- 4-(2,4-diiodophenoxy)butanoic acid
Names & synonyms
BUTYRIC ACID, 4-(2,4-DIIODOPHENOXY)-BRN 33147704-(2,4-Diiodophenoxy)butyric acid90917-54-7DTXSID702383184-06-00-01083 (Beilstein Handbook Reference)RefChem:331294DTXCID901608094-(2,4-diiodophenoxy)butanoic acid
Database identifiers
- CAS
90917-54-7- PubChem CID
- 56153
- DTXSID
DTXSID70238318
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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