Diethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-2-(2-methoxyethyl)malonate

HCID 21985752
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Basic information

Standard SMILES
CCOC(=O)C(CCOC)(CC(=O)c1ccc(Br)cc1)C(=O)OCC
InChIKey
ZCZDHYJWVOWDDW-UHFFFAOYSA-N
Molecular formula
C18H23BrO6
Average molar mass
415.3 g/mol

Names & identifiers

Preferred name
Diethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-2-(2-methoxyethyl)malonate
IUPAC
diethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-2-(2-methoxyethyl)propanedioate

Names & synonyms

SCHEMBL1747934ZCZDHYJWVOWDDW-UHFFFAOYSA-Ndiethyl 2-[2-(4-bromophenyl)-2-oxoethyl]-2-(2-methoxyethyl)malonate

Database identifiers

PubChem CID
21985752

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
78.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

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