4-[(4-Hydroxy-3,5-dinitrophenyl)methyl]-2,6-dinitrophenol
Basic information
- CAS
52751-59-4- Standard SMILES
O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O- InChIKey
HWPJOGXDDWSUFP-UHFFFAOYSA-N- Molecular formula
- C13H8N4O10
- Average molar mass
- 380.22 g/mol
- Monoisotopic mass
- 380.02404246
Names & identifiers
- Preferred name
- 4-[(4-Hydroxy-3,5-dinitrophenyl)methyl]-2,6-dinitrophenol
- IUPAC
- 4-[(4-hydroxy-3,5-dinitrophenyl)methyl]-2,6-dinitrophenol
Names & synonyms
NSC8736252751-59-4CHEMBL173117NSC-873624-[(4-Hydroxy-3,5-dinitrophenyl)methyl]-2,6-dinitrophenolSCHEMBL10881818DTXSID80293135BDBM500569314,4'-Methylenebis(2,6-dinitrophenol)4-(4-hydroxy-3,5-dinitrobenzyl)-2,6-dinitrophenol4-[(4-hydroxy-3,5-dinitro-phenyl)methyl]-2,6-dinitro-phenol
Database identifiers
- CAS
52751-59-4- PubChem CID
- 258448
- DTXSID
DTXSID80293135- ChEMBL
CHEMBL173117
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
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Related reactions
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Compound notes
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