2-Ethyl-1,3-dinitrobenzene
Basic information
- CAS
13985-56-3- Standard SMILES
CCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]- InChIKey
SWASTJCUMFALOW-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- 2-Ethyl-1,3-dinitrobenzene
- IUPAC
- 2-ethyl-1,3-dinitrobenzene
- English name
- 2-ethyl-1,3-dinitrobenzene
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
2-Ethyl-1,3-dinitrobenzene13985-56-3R7KU3U5TSZEINECS 237-777-2Benzene, 2-ethyl-1,3-dinitro-2,6-DINITROETHYLBENZENEDTXSID30161178RefChem:86855DTXCID1083669237-777-2UNII-R7KU3U5TSZethyl 1,3-dinitrobenzene
Show more names
1-Ethyl-2,6-dinitrobenzene
SCHEMBL5781293SCHEMBL8361517SCHEMBL28015802SWASTJCUMFALOW-UHFFFAOYSA-NNS00024521
Database identifiers
- CAS
13985-56-3- PubChem CID
- 84131
- DTXSID
DTXSID30161178- UNII
- R7KU3U5TSZ
- EC Number
- 237-777-2
- Nikkaji
- J141.710J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- FDA UNII
- 7 KU3U5TSZ · R7KU3U5TSZ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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