Basic information
- Standard SMILES
Cc1cc(C=O)c(OCCCCCCBr)c(C=O)c1- InChIKey
KIEZIQLMRIERGX-UHFFFAOYSA-N- Molecular formula
- C15H19BrO3
- Average molar mass
- 327.21 g/mol
Names & identifiers
- Preferred name
- 2-(6-Bromohexyloxy)-5-methyl-1,3-benzenedicarboxaldehyde
- IUPAC
- 2-(6-bromohexoxy)-5-methylbenzene-1,3-dicarbaldehyde
Names & synonyms
SCHEMBL9146840KIEZIQLMRIERGX-UHFFFAOYSA-N2-(6-bromohexyloxy)-5-methyl-1,3-benzenedicarboxaldehyde
Database identifiers
- PubChem CID
- 19930264
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
2 records
Compound notes
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