Basic information
- Standard SMILES
COCc1ccc(Cn2ncc([N+](=O)[O-])n2)o1- InChIKey
CMSPJNDQCNADJR-UHFFFAOYSA-N- Molecular formula
- C9H10N4O4
- Average molar mass
- 238.2 g/mol
Names & identifiers
- Preferred name
- 2-((5-(methoxymethyl)furan-2-yl)methyl)-4-nitro-2H-1,2,3-triazole
- IUPAC
- 2-[[5-(methoxymethyl)furan-2-yl]methyl]-4-nitrotriazole
Names & synonyms
SCHEMBL9900106CMSPJNDQCNADJR-UHFFFAOYSA-N2-((5-(methoxymethyl)furan-2-yl)methyl)-4-nitro-2H-1,2,3-triazole
Database identifiers
- PubChem CID
- 67958035
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
Loading…