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Basic information
- Standard SMILES
CCOC(=O)/C=C/COc1cc(Br)ccc1[N+](=O)[O-]- InChIKey
VUNDOQVRLOCGQL-ONEGZZNKSA-N- Molecular formula
- C12H12BrNO5
- Average molar mass
- 330.13 g/mol
Names & identifiers
- Preferred name
- Ethyl (2E)-4-(5-bromo-2-nitrophenoxy)but-2-enoate
- IUPAC
- ethyl (E)-4-(5-bromo-2-nitrophenoxy)but-2-enoate
Names & synonyms
VUNDOQVRLOCGQL-ONEGZZNKSA-NEthyl (2E)-4-(5-bromo-2-nitrophenoxy)but-2-enoate
Database identifiers
- PubChem CID
- 131736331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
1 records
Compound notes
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