t-Octylammonium 5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrobenzoate

HCID 21280025
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)CC(C)(C)[NH3+].O=C([O-])c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
BMSPFVVNZLUUTA-UHFFFAOYSA-N
Molecular formula
C22H26ClF3N2O5
Average molar mass
490.9 g/mol

Names & identifiers

Preferred name
t-Octylammonium 5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrobenzoate
IUPAC
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate;2,4,4-trimethylpentan-2-ylazanium

Names & synonyms

t-Octylammonium 5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrobenzoate

Database identifiers

PubChem CID
21280025

Properties

Computed structural properties

Topological polar surface area
123 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
33

Related reactions

8 records
New reaction record

Compound notes

Loading…