Basic information
- Standard SMILES
COc1ccc(Br)cc1Cc1ccccc1- InChIKey
XJJSSEXOKIYBPT-UHFFFAOYSA-N- Molecular formula
- C14H13BrO
- Average molar mass
- 277.16 g/mol
Names & identifiers
- Preferred name
- 2-Benzyl-4-bromo-1-methoxybenzene
- IUPAC
- 2-benzyl-4-bromo-1-methoxybenzene
Names & synonyms
2-benzyl-4-bromo-1-methoxybenzene41876-52-2MFCD329029752-benzyl-4-bromo-1-methoxy-benzene2-benzyl-4-bromo-anisoleSCHEMBL3891823XJJSSEXOKIYBPT-UHFFFAOYSA-NCS-0190246E96457
Database identifiers
- PubChem CID
- 10516629
- Nikkaji
- J1.859.774H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Related reactions
5 records
Compound notes
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