Basic information
- Standard SMILES
O=C(O)c1ccc(Oc2cccc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])c2)cc1- InChIKey
MTKGHXJALPACFQ-UHFFFAOYSA-N- Molecular formula
- C20H12F3NO8S
- Average molar mass
- 483.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(2-Nitro-4-trifluoromethanesulfonyl-phenoxy)-phenoxy]-benzoic acid
- IUPAC
- 4-[3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenoxy]benzoic acid
Names & synonyms
4-[3-(2-nitro-4-trifluoromethanesulfonyl-phenoxy)-phenoxy]-benzoic acidSCHEMBL6000240
Database identifiers
- PubChem CID
- 9934983
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 802
Related reactions
2 records
Compound notes
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