Basic information
- CAS
6973-36-0- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1- InChIKey
YDAIIMBJYHNCHW-UHFFFAOYSA-N- Molecular formula
- C12H2Cl5N3O7
- Average molar mass
- 477.4 g/mol
- Monoisotopic mass
- 474.833538
Names & identifiers
- Preferred name
- 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene
- IUPAC
- 1,2,3,4,5-pentachloro-6-(2,4,6-trinitrophenoxy)benzene
Names & synonyms
6973-36-01,2,3,4,5-pentachloro-6-(2,4,6-trinitrophenoxy)benzeneNSC40568DTXSID70989893NSC-40568
Database identifiers
- CAS
6973-36-0- PubChem CID
- 237244
- DTXSID
DTXSID70989893
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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