[Phenyl(pyridin-4-yl)methyl] acetate;2,4,6-trinitrophenol
Basic information
- CAS
24866-72-6- Standard SMILES
CC(=O)OC(c1ccccc1)c1ccncc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
FHKSXMXRABVHGR-UHFFFAOYSA-N- Molecular formula
- C20H16N4O9
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.0917281
Names & identifiers
- Preferred name
- [Phenyl(pyridin-4-yl)methyl] acetate;2,4,6-trinitrophenol
- IUPAC
- [phenyl(pyridin-4-yl)methyl] acetate;2,4,6-trinitrophenol
Names & synonyms
NSC24109524866-72-6DTXSID80330291NSC-241095Phenyl(pyridin-4-yl)methyl acetate--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
24866-72-6- PubChem CID
- 428634
- DTXSID
DTXSID80330291
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 534
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Related reactions
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Compound notes
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