Basic information
- CAS
6283-08-5- Standard SMILES
CCC1([N+](=O)[O-])COC(c2ccc(Cl)cc2)OC1- InChIKey
MLSLRMYNJPZXLF-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-5-ethyl-5-nitro-1,3-dioxane
- IUPAC
- 2-(4-chlorophenyl)-5-ethyl-5-nitro-1,3-dioxane
Names & synonyms
MLS0026379856283-08-52-(4-chlorophenyl)-5-ethyl-5-nitro-1,3-dioxaneNSC7134CHEMBL1889437DTXSID10278399HMS3085O05NSC-7134SMR001547490
Database identifiers
- CAS
6283-08-5- PubChem CID
- 221990
- DTXSID
DTXSID10278399- ChEMBL
CHEMBL1889437
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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