Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl- InChIKey
JIVWQBJMHFWMKG-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2FNO5
- Average molar mass
- 324.09 g/mol
- Monoisotopic mass
- 322.97635594
Names & identifiers
- Preferred name
- Ethyl 2,4-dichloro-5-fluoro-3-nitro-beta-oxobenzenepropanoate
- IUPAC
- ethyl 3-(2,4-dichloro-5-fluoro-3-nitrophenyl)-3-oxopropanoate
Names & synonyms
106809-15-8RefChem:342216Ethyl 2,4-dichloro-5-fluoro-3-nitro-beta-oxobenzenepropanoateethyl(2,4-dichloro-5-fluoro-3-nitrobenzoyl)acetateSCHEMBL10391659JIVWQBJMHFWMKG-UHFFFAOYSA-NDTXSID601194779ethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)-acetateethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)acetateethyl(2,4-dichloro-5-fluoro-3-nitrobenzoyl)-acetateethyl (2,4-dichloro-5-fluoro-3-nitro-benzoyl)-acetateEthyl 2,4-dichloro-5-fluoro-3-nitro-I(2)-oxobenzenepropanoate
Show more names
ethyl 3-(2,4-dichloro-5-fluoro-3-nitrophenyl)-3-oxopropanoate
Database identifiers
- CAS
106809-15-8- PubChem CID
- 13733140
- DTXSID
DTXSID601194779
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Related reactions
10 records
Linked notes
Loading…