2,3-Bis(2,4-dichlorophenoxy)butanedioic acid
Basic information
- CAS
35995-13-2- Standard SMILES
O=C(O)C(Oc1ccc(Cl)cc1Cl)C(Oc1ccc(Cl)cc1Cl)C(=O)O- InChIKey
FJKIOAJAOXNMRK-UHFFFAOYSA-N- Molecular formula
- C16H10Cl4O6
- Average molar mass
- 440.1 g/mol
- Monoisotopic mass
- 437.923149
Names & identifiers
- Preferred name
- 2,3-Bis(2,4-dichlorophenoxy)butanedioic acid
- IUPAC
- 2,3-bis(2,4-dichlorophenoxy)butanedioic acid
Names & synonyms
2,3-bis(2,4-dichlorophenoxy)butanedioic acid35995-13-2NSC190812SCHEMBL28096041DTXSID60307360NSC-190812
Database identifiers
- CAS
35995-13-2- PubChem CID
- 303036
- DTXSID
DTXSID60307360
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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