Phenol, 4-ethyl-2,6-dinitro-
Basic information
- CAS
4099-63-2- Standard SMILES
CCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
CIXQCVNMEAPWFG-UHFFFAOYSA-N- Molecular formula
- C8H8N2O5
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.04332136
Names & identifiers
- Preferred name
- Phenol, 4-ethyl-2,6-dinitro-
- IUPAC
- 4-ethyl-2,6-dinitrophenol
- English name
- 2,6-Dinitro-4-ethylphenol
- Molecular weight
- 0
Names & synonyms
4-Ethyl-2,6-dinitrophenolPhenol, 4-ethyl-2,6-dinitro-4099-63-2NSC-78802QT2XH63VSVDTXSID40193985RefChem:1094919DTXCID801164762,6-Dinitro-4-ethylphenolPhenol, 2,6-dinitro-4-ethyl-NSC 78802BRN 2563936
Show more names
4-ethyl-2,6-dinitro-phenolAI3-19033NSC78802NCIOpen2_004293Phenol,6-dinitro-4-ethyl-4-06-00-03027 (Beilstein Handbook Reference)WLN: WNR BQ E2 CNWSCHEMBL5083291
Database identifiers
- CAS
4099-63-2- PubChem CID
- 77733
- DTXSID
DTXSID40193985- UNII
- QT2XH63VSV
- Nikkaji
- J50.134D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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