2-(3-Chloro-2,4,6-trinitrophenoxy)phenol
Basic information
- CAS
94200-69-8- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2O)c([N+](=O)[O-])c1Cl- InChIKey
HUVGOOBXOSSKNM-UHFFFAOYSA-N- Molecular formula
- C12H6ClN3O8
- Average molar mass
- 355.64 g/mol
- Monoisotopic mass
- 354.9843419
Names & identifiers
- Preferred name
- 2-(3-Chloro-2,4,6-trinitrophenoxy)phenol
- IUPAC
- 2-(3-chloro-2,4,6-trinitrophenoxy)phenol
- English name
- 2-(3-chloro-2,4,6-trinitrophenoxy)phenol
- Molecular formula
- C12H6ClN3O8
- Molecular weight
- 355.64434
Names & synonyms
2-(3-Chloro-2,4,6-trinitrophenoxy)phenol94200-69-834ZZX8BL7DEINECS 303-548-1DTXSID90240993PHENOL, 2-(3-CHLORO-2,4,6-TRINITROPHENOXY)-RefChem:84222DTXCID20163484303-548-1UNII-34ZZX8BL7DHUVGOOBXOSSKNM-UHFFFAOYSA-NNS00040238
Database identifiers
- CAS
94200-69-8- PubChem CID
- 3023959
- DTXSID
DTXSID90240993- UNII
- 34ZZX8BL7D
- EC Number
- 303-548-1
- Nikkaji
- J319.117F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- FDA UNII
- 34 ZZX8BL7D · 34ZZX8BL7D
- Comptox DTXSID
- 90240993 · DTXSID90240993
- HS Code
- 2909500000 · 2909500000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909500000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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