2,6-Dichloro-3,5-dinitrobenzoic acid
Basic information
- CAS
1143-31-3- Standard SMILES
O=C(O)c1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1Cl- InChIKey
QQLMHXGVJLNNAP-UHFFFAOYSA-N- Molecular formula
- C7H2Cl2N2O6
- Average molar mass
- 281 g/mol
- Monoisotopic mass
- 279.9289912
Names & identifiers
- Preferred name
- 2,6-Dichloro-3,5-dinitrobenzoic acid
- IUPAC
- 2,6-dichloro-3,5-dinitrobenzoic acid
- English name
- Benzoic acid,2,6-dichloro-3,5-dinitro-
- Molecular formula
- C7H2Cl2N2O6
- Molecular weight
- 281.00658
Names & synonyms
2,6-dichloro-3,5-dinitrobenzoic acid1143-31-3DTXSID00304595RefChem:248211DTXCID70255727NSC166427SCHEMBL7823871QQLMHXGVJLNNAP-UHFFFAOYSA-NAKOS024332619NSC-166427Benzoic acid,2,6-dichloro-3,5-dinitro-
Database identifiers
- CAS
1143-31-3- PubChem CID
- 296344
- DTXSID
DTXSID00304595
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
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Related reactions
4 records
Compound notes
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