Benzyl (5-bromo-4-methyl-2-thienyl)acetate

HCID 58735541
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Basic information

Standard SMILES
Cc1cc(CC(=O)OCc2ccccc2)sc1Br
InChIKey
FYIZKOSKCSRXLB-UHFFFAOYSA-N
Molecular formula
C14H13BrO2S
Average molar mass
325.22 g/mol
Monoisotopic mass
323.98196

Names & identifiers

Preferred name
Benzyl (5-bromo-4-methyl-2-thienyl)acetate
IUPAC
benzyl 2-(5-bromo-4-methylthiophen-2-yl)acetate

Names & synonyms

SCHEMBL13812411FYIZKOSKCSRXLB-UHFFFAOYSA-Nbenzyl (5-bromo4-methyl-2-thienyl)acetatebenzyl (5-bromo-4-methyl-2-thienyl)acetate

Database identifiers

PubChem CID
58735541

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

Related reactions

3 records
New reaction record

Compound notes

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