Ethyl 2-chloro-2-(o-methylbenzyl)-acetoacetate

HCID 19987140
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(Cl)(Cc1ccccc1C)C(C)=O
InChIKey
ZDEYMHKTSBPCQZ-UHFFFAOYSA-N
Molecular formula
C14H17ClO3
Average molar mass
268.73 g/mol

Names & identifiers

Preferred name
Ethyl 2-chloro-2-(o-methylbenzyl)-acetoacetate
IUPAC
ethyl 2-chloro-2-[(2-methylphenyl)methyl]-3-oxobutanoate

Names & synonyms

SCHEMBL7432262ZDEYMHKTSBPCQZ-UHFFFAOYSA-Nethyl 2-chloro-2-(o-methylbenzyl)-acetoacetate

Database identifiers

PubChem CID
19987140

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

Loading…

Ethyl 2-chloro-2-(o-methylbenzyl)-acetoacetate (HCID 19987140)｜Huagongshe