Ethyl 2,4-dichloro-5-fluoro-3-nitro-beta-oxobenzenepropanoate

HCID 13733140CAS 106809-15-8

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

Related reactions

10 records

Linked notes

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