Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COCCC#Cc1ccccc1[N+](=O)[O-]- InChIKey
NSLPTFCGMYAVMD-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methoxybut-1-ynyl)-2-nitrobenzene
- IUPAC
- 1-(4-methoxybut-1-ynyl)-2-nitrobenzene
Names & synonyms
SCHEMBL3064911NSLPTFCGMYAVMD-UHFFFAOYSA-N1-(4-methoxybut-1-ynyl)-2-nitrobenzene
Database identifiers
- PubChem CID
- 68499034
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Related reactions
3 records
Compound notes
Loading…