2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate
Basic information
- CAS
4988-44-7- Standard SMILES
CCCCC(CC)C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]- InChIKey
AQYAYHIBHJIREO-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2NO4
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.0534634
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate
- IUPAC
- (2,4-dichloro-6-nitrophenyl) 2-ethylhexanoate
Names & synonyms
4988-44-72,4-dichloro-6-nitrophenyl 2-ethylhexanoateNSC36597DTXSID50284297NSC-36597
Database identifiers
- CAS
4988-44-7- PubChem CID
- 235346
- DTXSID
DTXSID50284297
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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