Basic information
- Standard SMILES
C#CC(I)OC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl- InChIKey
ZEBAWUXAWMTSLZ-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2INO4
- Average molar mass
- 413.98 g/mol
Names & identifiers
- Preferred name
- 2,6-Dichloro-3-nitrophenylacetic acid iodopropargyl ester
- IUPAC
- 1-iodoprop-2-ynyl 2-(2,6-dichloro-3-nitrophenyl)acetate
Names & synonyms
SCHEMBL10789404ZEBAWUXAWMTSLZ-UHFFFAOYSA-N2,6-dichloro-3-nitrophenylacetic acid iodopropargyl ester
Database identifiers
- PubChem CID
- 86741244
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
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