Basic information
- CAS
79668-77-2- Standard SMILES
Nc1cccc(OCCCBr)c1- InChIKey
ACYSDCATMPECGG-UHFFFAOYSA-N- Molecular formula
- C9H12BrNO
- Average molar mass
- 230.1 g/mol
- Monoisotopic mass
- 229.0102261
Names & identifiers
- Preferred name
- 3-(3-Bromopropoxy)-aniline
- IUPAC
- 3-(3-bromopropoxy)aniline
Names & synonyms
3-(3-bromopropoxy)aniline3-(3-bromopropoxy)-aniline79668-77-23-(3-Bromopropoxy)benzenamineSCHEMBL8254027ACYSDCATMPECGG-UHFFFAOYSA-NDTXSID001307198
Database identifiers
- CAS
79668-77-2- PubChem CID
- 459256
- DTXSID
DTXSID001307198
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
- 121
Related reactions
10 records
Compound notes
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