4-(2,2-Dimethylpropyl)-1-iodo-2-nitrobenzene
Basic information
- CAS
144146-99-6- Standard SMILES
CC(C)(C)Cc1ccc(I)c([N+](=O)[O-])c1- InChIKey
WDJVRKYKTXFFCM-UHFFFAOYSA-N- Molecular formula
- C11H14INO2
- Average molar mass
- 319.14 g/mol
- Monoisotopic mass
- 319.00693
Names & identifiers
- Preferred name
- 4-(2,2-Dimethylpropyl)-1-iodo-2-nitrobenzene
- IUPAC
- 4-(2,2-dimethylpropyl)-1-iodo-2-nitrobenzene
Names & synonyms
DTXSID3012575244-(2,2-Dimethylpropyl)-1-iodo-2-nitrobenzene144146-99-6
Database identifiers
- CAS
144146-99-6- PubChem CID
- 85660281
- DTXSID
DTXSID301257524
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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