3-(5-Chloro-thiophen-2-yl)-3-oxo-propionic acid tert-butyl ester

HCID 67014707
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC(=O)c1ccc(Cl)s1
InChIKey
REBNTWUPTFVVKF-UHFFFAOYSA-N
Molecular formula
C11H13ClO3S
Average molar mass
260.74 g/mol
Monoisotopic mass
260.0273931

Names & identifiers

Preferred name
3-(5-Chloro-thiophen-2-yl)-3-oxo-propionic acid tert-butyl ester
IUPAC
tert-butyl 3-(5-chlorothiophen-2-yl)-3-oxopropanoate

Names & synonyms

SCHEMBL1386460REBNTWUPTFVVKF-UHFFFAOYSA-N3-(5-Chloro-thiophen-2-yl)-3-oxo-propionic acid tert-butyl ester

Database identifiers

PubChem CID
67014707

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

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