4-(3-Chloro-2,4,6-trinitrophenoxy)phenol
Basic information
- CAS
94200-70-1- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccc(O)cc2)c([N+](=O)[O-])c1Cl- InChIKey
CXUNQKQBOXFIIE-UHFFFAOYSA-N- Molecular formula
- C12H6ClN3O8
- Average molar mass
- 355.64 g/mol
- Monoisotopic mass
- 354.9843419
Names & identifiers
- Preferred name
- 4-(3-Chloro-2,4,6-trinitrophenoxy)phenol
- IUPAC
- 4-(3-chloro-2,4,6-trinitrophenoxy)phenol
- English name
- 4-(3-chloro-2,4,6-trinitrophenoxy)phenol
- Molecular formula
- C12H6ClN3O8
- Molecular weight
- 355.64434
Names & synonyms
4-(3-Chloro-2,4,6-trinitrophenoxy)phenol94200-70-15SM77D9WWBEINECS 303-549-7DTXSID50240994PHENOL, 4-(3-CHLORO-2,4,6-TRINITROPHENOXY)-RefChem:97137DTXCID80163485303-549-7UNII-5SM77D9WWBCXUNQKQBOXFIIE-UHFFFAOYSA-NNS00040239
Database identifiers
- CAS
94200-70-1- PubChem CID
- 3023960
- DTXSID
DTXSID50240994- UNII
- 5SM77D9WWB
- EC Number
- 303-549-7
- Nikkaji
- J319.118D
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
- 496
Physicochemical properties
- FDA UNII
- 5 SM77D9WWB · 5SM77D9WWB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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