(E)-4-bromo-3-(2-chloro-phenoxy)-but-2-enoic acid ethyl ester

HCID 66895331
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Basic information

Standard SMILES
CCOC(=O)/C=C(\CBr)Oc1ccccc1Cl
InChIKey
TZVSQKMJQLDDPE-VQHVLOKHSA-N
Molecular formula
C12H12BrClO3
Average molar mass
319.58 g/mol

Names & identifiers

Preferred name
(E)-4-bromo-3-(2-chloro-phenoxy)-but-2-enoic acid ethyl ester
IUPAC
ethyl (E)-4-bromo-3-(2-chlorophenoxy)but-2-enoate

Names & synonyms

1191997-60-0Dorzagliatin Impurity 3SCHEMBL1068749TZVSQKMJQLDDPE-VQHVLOKHSA-N(E)-4-bromo-3-(2-chloro-phenoxy)-but-2-enoic acid ethyl esterDB-189841(E)-ethyl 3-(2-chlorophenoxy)-4-bromobut-2-enoate

Database identifiers

PubChem CID
66895331

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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