4-(3-Bromopropoxy)aniline
Basic information
- Standard SMILES
Nc1ccc(OCCCBr)cc1- InChIKey
MEJDIEQCJKKKDY-UHFFFAOYSA-N- Molecular formula
- C9H12BrNO
- Average molar mass
- 230.1 g/mol
Names & identifiers
- Preferred name
- 4-(3-Bromopropoxy)aniline
- IUPAC
- 4-(3-bromopropoxy)aniline
Names & synonyms
4-(3-Bromopropoxy)aniline143667-04-3SCHEMBL293528SCHEMBL2935294-(3-bromopropoxy)phenylamine4-(3-Bromopropoxy)benzenamineMEJDIEQCJKKKDY-UHFFFAOYSA-NSBB051723
Database identifiers
- PubChem CID
- 19974563
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
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Related reactions
2 records
Compound notes
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