Basic information
- CAS
7235-54-3- Standard SMILES
O=C(O)COc1ccc(C=CC(=O)c2cccs2)c(Cl)c1Cl- InChIKey
NEFNTKXPJAWGGJ-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2O4S
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 355.9676854
Names & identifiers
- Preferred name
- 2-[2,3-Dichloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenoxy]acetic acid
- IUPAC
- 2-[2,3-dichloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenoxy]acetic acid
Names & synonyms
7235-54-3DTXSID40993144{2,3-Dichloro-4-[3-oxo-3-(thiophen-2-yl)prop-1-en-1-yl]phenoxy}acetic acid
Database identifiers
- CAS
7235-54-3- PubChem CID
- 54598
- DTXSID
DTXSID40993144
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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