Basic information
- Standard SMILES
CCOC(=O)/C=C(\CBr)Oc1cccc(C)c1- InChIKey
FBZZGJRWOVEKGV-XYOKQWHBSA-N- Molecular formula
- C13H15BrO3
- Average molar mass
- 299.16 g/mol
Names & identifiers
- Preferred name
- (E)-4-bromo-3-m-tolyloxy-but-2-enoic acid ethyl ester
- IUPAC
- ethyl (E)-4-bromo-3-(3-methylphenoxy)but-2-enoate
Names & synonyms
SCHEMBL1068137FBZZGJRWOVEKGV-XYOKQWHBSA-NDB-200424(E)-ethyl 3-(m-tolyloxy)-4-bromobut-2-enoate(E)-4-bromo-3-m-tolyloxy-but-2-enoic acid ethyl ester1192000-52-4
Database identifiers
- PubChem CID
- 66895129
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
2 records
Compound notes
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