2,6-Dichloro-3-methoxycarbonyl benzoyl acetone
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Basic information
- Standard SMILES
COC(=O)c1ccc(Cl)c(C(=O)CC(C)=O)c1Cl- InChIKey
ZHTJADLHOGJSJC-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2O4
- Average molar mass
- 289.11 g/mol
Names & identifiers
- Preferred name
- 2,6-Dichloro-3-methoxycarbonyl benzoyl acetone
- IUPAC
- methyl 2,4-dichloro-3-(3-oxobutanoyl)benzoate
Names & synonyms
SCHEMBL8308336ZHTJADLHOGJSJC-UHFFFAOYSA-N2,6-dichloro-3-methoxycarbonyl benzoyl acetone
Database identifiers
- PubChem CID
- 54547765
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
1 records
Compound notes
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