Basic information
- CAS
6973-40-6- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2)c([N+](=O)[O-])c1- InChIKey
KDVCTAHYZJQAOH-UHFFFAOYSA-N- Molecular formula
- C12H7N3O7
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 305.02839957
Names & identifiers
- Preferred name
- 1,3,5-Trinitro-2-phenoxybenzene
- IUPAC
- 1,3,5-trinitro-2-phenoxybenzene
Names & synonyms
1,3,5-Trinitro-2-phenoxybenzene6973-40-6DTXSID30285121RefChem:217489DTXCID10236272pikrinsaures PhenolNSC40572SCHEMBL9762576KDVCTAHYZJQAOH-UHFFFAOYSA-NDiphenyl ether, 2,4,6-trinitro-NSC-405721,3,5-Trinitro-2-phenoxybenzene #
Show more names
AE-848/30689036
Database identifiers
- CAS
6973-40-6- PubChem CID
- 237247
- DTXSID
DTXSID30285121- Nikkaji
- J356.484C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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