Basic information
- Standard SMILES
CC(C)=CCOc1cc([N+](=O)[O-])ccc1Cl- InChIKey
XRKIFFOJUGXVIP-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-2-(3-methyl-2-butenyloxy)-4-nitrobenzene
- IUPAC
- 1-chloro-2-(3-methylbut-2-enoxy)-4-nitrobenzene
Names & synonyms
1-chloro-2-(3-methyl-2-butenyloxy)-4-nitrobenzeneSCHEMBL6825718XRKIFFOJUGXVIP-UHFFFAOYSA-NAKOS017555974
Database identifiers
- PubChem CID
- 12985690
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
6 records
Compound notes
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