Basic information
- CAS
15595-24-1- Standard SMILES
O=[N+]([O-])c1cc(Cl)c(O)c(-c2cc([N+](=O)[O-])cc(Cl)c2O)c1- InChIKey
JMDGYNMVECCCBV-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2N2O6
- Average molar mass
- 345.09 g/mol
- Monoisotopic mass
- 343.9602913
Names & identifiers
- Preferred name
- 6,6'-Dichloro-4,4'-dinitro-O,O'-biphenol
- IUPAC
- 2-chloro-6-(3-chloro-2-hydroxy-5-nitrophenyl)-4-nitrophenol
- English name
- 3,3'-Dichloro-5,5'-dinitro-1,1'-biphenyl-2,2'-diol
- Molecular formula
- C12H6Cl2N2O6
- Molecular weight
- 345.09
Names & synonyms
15595-24-1Z22APC9J6C6,6'-Dichloro-4,4'-dinitro-O,O'-biphenol3,3'-Dichloro-5,5'-dinitro-2,2'-biphenol3,3'-Dichloro-5,5'-dinitro-(1,1'-biphenyl)-2,2'-diol(1,1'-Biphenyl)-2,2'-diol, 3,3'-dichloro-5,5'-dinitro-2-chloro-6-(3-chloro-2-hydroxy-5-nitrophenyl)-4-nitrophenolUNII-Z22APC9J6CSCHEMBL5933778DTXSID20414623,3/'-Dichloro-5,5/'-dinitro-1,1/'-biphenyl-2,2/'-diolNS00122569
Show more names
3,3'-Dichloro-5,5'-dinitro-1,1'-biphenyl-2,2'-diol5,5'-dichloro-3,3'-nitroso-(1,1'-biphenyl)-2,2'-diol[1,1'-Biphenyl]-2,2'-diol, 3,3'-dichloro-5,5'-dinitro-
Q27294889O,O'-BIPHENOL, 6,6'-DICHLORO-4,4'-DINITRO-3,3'-Dichloro-5,5'-dinitro[1,1'-biphenyl]-2,2'-diolDICHLORO-5,5'-DINITRO-(1,1'-BIPHENYL)-2,2'-DIOL, 3,3'-
Database identifiers
- CAS
15595-24-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- FDA UNII
- 22 APC9J6C · Z22APC9J6C
- EPA Substance Registry System
- 3 · 3,3'-Dichloro-5,5'-dinitro-2,2'-biphenol (15595-24-1)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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