Diethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)propanedioate

HCID 13733139CAS 106809-16-9

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

Related reactions

13 records

Linked notes

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