Basic information
- CAS
7614-96-2- Standard SMILES
CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
OWGBEEOYEIPCMY-UHFFFAOYSA-N- Molecular formula
- C8H5N3O8
- Average molar mass
- 271.14 g/mol
- Monoisotopic mass
- 271.00766413
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenyl acetate
- IUPAC
- (2,4,6-trinitrophenyl) acetate
Names & synonyms
2,4,6-trinitrophenyl acetate7614-96-2RefChem:245869picryl acetateSCHEMBL11563856DTXSID901308836
Database identifiers
- CAS
7614-96-2- PubChem CID
- 12296705
- DTXSID
DTXSID901308836- Nikkaji
- J469.387F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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