Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl- InChIKey
UMCIIIXCSXZJNZ-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2FNO7
- Average molar mass
- 396.1 g/mol
- Monoisotopic mass
- 394.9974853
Names & identifiers
- Preferred name
- Diethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)propanedioate
- IUPAC
- diethyl 2-(2,4-dichloro-5-fluoro-3-nitrobenzoyl)propanedioate
Names & synonyms
106809-16-9SCHEMBL9671784DTXSID10547911UMCIIIXCSXZJNZ-UHFFFAOYSA-NDiethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)propanedioatediethyl(2,4-dichloro-5-fluoro-3-nitrobenzoyl)malonatediethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)malonatediethyl(2,4-dichloro- 5-fluoro-3-nitro-benzoyl)malonatediethyl (2,4 -dichloro-5-fluoro-3-nitro-benzoyl)malonatediethyl (2,4-dichloro-5-fluoro-3-nitro-benzoyl)-malonate
Database identifiers
- CAS
106809-16-9- PubChem CID
- 13733139
- DTXSID
DTXSID10547911
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Related reactions
13 records
Linked notes
Loading…