3-(3-Chloro-2,4,6-trinitrophenoxy)phenol
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Basic information
- CAS
94200-68-7- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc(O)c2)c([N+](=O)[O-])c1Cl- InChIKey
APCPHDKQTSPRBK-UHFFFAOYSA-N- Molecular formula
- C12H6ClN3O8
- Average molar mass
- 355.64 g/mol
- Monoisotopic mass
- 354.9843419
Names & identifiers
- Preferred name
- 3-(3-Chloro-2,4,6-trinitrophenoxy)phenol
- IUPAC
- 3-(3-chloro-2,4,6-trinitrophenoxy)phenol
- English name
- 3-(3-chloro-2,4,6-trinitrophenoxy)phenol
- Molecular formula
- C12H6ClN3O8
- Molecular weight
- 355.64434
Names & synonyms
3-(3-Chloro-2,4,6-trinitrophenoxy)phenolJ6KSC6JCQ494200-68-7EINECS 303-547-6UNII-J6KSC6JCQ4DTXSID30240992PHENOL, 3-(3-CHLORO-2,4,6-TRINITROPHENOXY)-RefChem:92303DTXCID60163483303-547-6APCPHDKQTSPRBK-UHFFFAOYSA-NNS00040237
Database identifiers
- CAS
94200-68-7- PubChem CID
- 3023958
- DTXSID
DTXSID30240992- UNII
- J6KSC6JCQ4
- EC Number
- 303-547-6
- Nikkaji
- J319.116H
Properties
Computed structural propertiesFilling in
- 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
- 6 KSC6JCQ4 · J6KSC6JCQ4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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