Basic information
- Standard SMILES
COc1cc(C#N)ccc1OCCCBr- InChIKey
NRLISHLIWZEUDI-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO2
- Average molar mass
- 270.12 g/mol
- Monoisotopic mass
- 269.00514072
Names & identifiers
- Preferred name
- 4-(3-Bromopropoxy)-3-methoxybenzonitrile
- IUPAC
- 4-(3-bromopropoxy)-3-methoxybenzonitrile
Names & synonyms
4-(3-bromopropoxy)-3-methoxybenzonitrile3244-23-3Benzonitrile, 4-(3-bromopropoxy)-3-methoxy-4(3-bromopropoxy)-3-methoxybenzonitrileSCHEMBL1545129DTXSID30439703NRLISHLIWZEUDI-UHFFFAOYSA-N4-(3bromopropoxy)-3-methoxybenzonitrile4-(3-bromopropoxy)-3- methoxybenzonitrileA1-05465
Database identifiers
- CAS
3244-23-3- PubChem CID
- 10423230
- DTXSID
DTXSID30439703
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Related reactions
153 records
Linked notes
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