Basic information
- CAS
77228-65-0- Standard SMILES
O=C(O)COc1ccc(I)cc1I- InChIKey
NCMZZPMWCNKRJG-UHFFFAOYSA-N- Molecular formula
- C8H6I2O3
- Average molar mass
- 403.94 g/mol
- Monoisotopic mass
- 403.84064
Names & identifiers
- Preferred name
- (2,4-Diiodophenoxy)acetic acid
- IUPAC
- 2-(2,4-diiodophenoxy)acetic acid
- English name
- (2,4-Diiodophenoxy)acetic acid
- Molecular formula
- C8H6I2O3
- Molecular weight
- 403.94
Names & synonyms
(2,4-Diiodophenoxy)acetic acid77228-65-02-(2,4-diiodophenoxy)acetic acidACETIC ACID, (2,4-DIIODOPHENOXY)-BRN 2560843NSC402434SCHEMBL5833932DTXSID80227970NSC 402434NSC-402434Acetic acid, 2-(2,4-diiodophenoxy)-
Database identifiers
- CAS
77228-65-0- PubChem CID
- 53598
- DTXSID
DTXSID80227970
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 442.2 · 442.2±40.0 °C(Predicted)
- Density
- 2.394 · 2.394±0.06 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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