Basic information
- Standard SMILES
COc1cc(CO)c(O)c(N=Nc2cc(Cl)ccc2[N+](=O)[O-])c1- InChIKey
BJAGGJJBXRNSGQ-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O5
- Average molar mass
- 337.71 g/mol
- Monoisotopic mass
- 337.0465482
Names & identifiers
- Preferred name
- 2-((5-Chloro-2-nitrophenyl)diazenyl)-6-(hydroxymethyl)-4-methoxyphenol
- IUPAC
- 2-[(5-chloro-2-nitrophenyl)diazenyl]-6-(hydroxymethyl)-4-methoxyphenol
Names & synonyms
SCHEMBL1100360SCHEMBL1100363BJAGGJJBXRNSGQ-UHFFFAOYSA-N2-((5-chloro-2-nitrophenyl)diazenyl)-6-(hydroxymethyl)-4-methoxyphenol
Database identifiers
- PubChem CID
- 136348303
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
5 records
Compound notes
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