2,2'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chloro-6-nitrophenol)
Basic information
- CAS
7511-33-3- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(C(c2cc(Cl)cc([N+](=O)[O-])c2O)C(Cl)(Cl)Cl)c1O- InChIKey
FFTXURLSKUFFGG-UHFFFAOYSA-N- Molecular formula
- C14H7Cl5N2O6
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 473.874674
Names & identifiers
- Preferred name
- 2,2'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chloro-6-nitrophenol)
- IUPAC
- 4-chloro-2-nitro-6-[2,2,2-trichloro-1-(5-chloro-2-hydroxy-3-nitrophenyl)ethyl]phenol
Names & synonyms
7511-33-3DTXSID403245352,2'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chloro-6-nitrophenol)RefChem:242047DTXCID20275652NSC406952SCHEMBL11310579NSC-406952
Database identifiers
- CAS
7511-33-3- PubChem CID
- 347985
- DTXSID
DTXSID40324535- Nikkaji
- J1.891.927C
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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