25I-NB-3-F-imine
Basic information
- Standard SMILES
COc1cc(CCN=Cc2cccc(F)c2)c(OC)cc1I- InChIKey
DNTUBEIQAPIQJY-UHFFFAOYSA-N- Molecular formula
- C17H17FINO2
- Average molar mass
- 413.22 g/mol
- Monoisotopic mass
- 413.0288
Names & identifiers
- Preferred name
- 25I-NB-3-F-imine
- IUPAC
- 1-(3-fluorophenyl)-N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]methanimine
Names & synonyms
25I-NB-3-F-imineDTXSID101344610
Database identifiers
- PubChem CID
- 165361925
- DTXSID
DTXSID101344610
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
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Related reactions
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Compound notes
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