Basic information
- Standard SMILES
COc1cc(CO)c(O)c(N=Nc2ccccc2[N+](=O)[O-])c1- InChIKey
ACKJWZRGXXYVRZ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O5
- Average molar mass
- 303.27 g/mol
- Monoisotopic mass
- 303.08552052
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-4-methoxy-6-((2-nitrophenyl)diazenyl)phenol
- IUPAC
- 2-(hydroxymethyl)-4-methoxy-6-[(2-nitrophenyl)diazenyl]phenol
Names & synonyms
SCHEMBL1099494SCHEMBL1099495ACKJWZRGXXYVRZ-UHFFFAOYSA-N2-(hydroxymethyl)-4-methoxy-6-((2-nitrophenyl)diazenyl)phenol2-(hydroxymethyl)-4-methoxy-6-((2-nitrophenyl)-diazenyl)-phenol
Database identifiers
- PubChem CID
- 136348292
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
5 records
Compound notes
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