Basic information
- Standard SMILES
CC(C)CCOc1ccc(N)c([N+](=O)[O-])c1- InChIKey
VVUQHSNLHLMFKO-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- 4-(3-Methylbutoxy)-2-nitroaniline
- IUPAC
- 4-(3-methylbutoxy)-2-nitroaniline
Names & synonyms
4-(3-methylbutoxy)-2-nitroanilineNSC159688SCHEMBL150632954-(isopentyloxy)-2-nitroanilineVVUQHSNLHLMFKO-UHFFFAOYSA-NNSC-159688
Database identifiers
- PubChem CID
- 293293
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
2 records
Compound notes
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