Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(NCC2CCCO2)c(Cl)c1- InChIKey
FBKVRQSUOAGOGS-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O3
- Average molar mass
- 256.68 g/mol
Names & identifiers
- Preferred name
- 2-chloro-4-nitro-N-tetrahydrofurfurylaniline
- IUPAC
- 2-chloro-4-nitro-N-(oxolan-2-ylmethyl)aniline
Names & synonyms
SCHEMBL11540095FBKVRQSUOAGOGS-UHFFFAOYSA-NAKOS0085690252-chloro-4-nitro-N-tetrahydrofurfurylaniline
Database identifiers
- PubChem CID
- 21322804
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
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