Ethyl 3-(4-bromophenyl)-2-cyano-3-o-tolylpropanoate

HCID 67015643
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Basic information

Standard SMILES
CCOC(=O)C(C#N)C(c1ccc(Br)cc1)c1ccccc1C
InChIKey
FYIAJZHEZACTCX-UHFFFAOYSA-N
Molecular formula
C19H18BrNO2
Average molar mass
372.3 g/mol

Names & identifiers

Preferred name
Ethyl 3-(4-bromophenyl)-2-cyano-3-o-tolylpropanoate
IUPAC
ethyl 3-(4-bromophenyl)-2-cyano-3-(2-methylphenyl)propanoate

Names & synonyms

Ethyl 3-(4-bromophenyl)-2-cyano-3-o-tolylpropanoateSCHEMBL1390375FYIAJZHEZACTCX-UHFFFAOYSA-N3-(4-Bromo-phenyl)-2-cyano-3-o-tolyl-propionic acid ethyl ester

Database identifiers

PubChem CID
67015643

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23

Related reactions

3 records
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Compound notes

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