Basic information
- CAS
5832-73-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1O- InChIKey
HTKKXNRVIKBCRZ-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O6
- Average molar mass
- 234.55 g/mol
- Monoisotopic mass
- 233.9679635
Names & identifiers
- Preferred name
- 4-Chloro-2,6-dinitrobenzene-1,3-diol
- IUPAC
- 4-chloro-2,6-dinitrobenzene-1,3-diol
Names & synonyms
5832-73-54-chloro-2,6-dinitrobenzene-1,3-diolNSC137070DTXSID60300457NSC-1370704-chloro-2,6-dinitro-benzene-1,3-diolDS-014930
Database identifiers
- CAS
5832-73-5- PubChem CID
- 282949
- DTXSID
DTXSID60300457
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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