Basic information
- Standard SMILES
C#CC(C)(C)Oc1ccc(I)c([N+](=O)[O-])c1- InChIKey
LWVIJIGMTKCXHJ-UHFFFAOYSA-N- Molecular formula
- C11H10INO3
- Average molar mass
- 331.11 g/mol
Names & identifiers
- Preferred name
- 1-Iodo-4-(2-methyl-3-butyn-2-yloxy)-2-nitrobenzene
- IUPAC
- 1-iodo-4-(2-methylbut-3-yn-2-yloxy)-2-nitrobenzene
Names & synonyms
1-iodo-4-(2-methyl-3-butyn-2-yloxy)-2-nitrobenzeneSCHEMBL2069926LWVIJIGMTKCXHJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57734296
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 315
Related reactions
2 records
Compound notes
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