2-(3,4-Dichloro-phenyl)-4-methyl-pentanoic acid ethyl ester

HCID 46220930
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Basic information

Standard SMILES
CCOC(=O)C(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIKey
HMVLEKMWDGXELE-UHFFFAOYSA-N
Molecular formula
C14H18Cl2O2
Average molar mass
289.2 g/mol

Names & identifiers

Preferred name
2-(3,4-Dichloro-phenyl)-4-methyl-pentanoic acid ethyl ester
IUPAC
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate

Names & synonyms

SCHEMBL2648915HMVLEKMWDGXELE-UHFFFAOYSA-N2-(3,4-dichloro-phenyl)-4-methyl-pentanoic acid ethyl ester

Database identifiers

PubChem CID
46220930

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
18

Related reactions

2 records
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Compound notes

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