Basic information
- Standard SMILES
COc1cc(CO)c(O)c(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1- InChIKey
KVLFEGKZWNGUQY-UHFFFAOYSA-N- Molecular formula
- C15H12F3N3O5
- Average molar mass
- 371.27 g/mol
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-4-methoxy-6-((2-nitro-4-(trifluoro-methyl)-phenyl)diazenyl)-phenol
- IUPAC
- 2-(hydroxymethyl)-4-methoxy-6-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]phenol
Names & synonyms
2-(hydroxymethyl)-4-methoxy-6-((2-nitro-4-(trifluoro-methyl)-phenyl)diazenyl)-phenolSCHEMBL1098777SCHEMBL1098778KVLFEGKZWNGUQY-FMQUCBEESA-NLJDNRAIIULEPQH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136123391
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Related reactions
5 records
Compound notes
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