Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Basic information
- CAS
51282-65-6- Standard SMILES
CCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
KIDNVGVZYUJAHZ-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2NO5
- Average molar mass
- 356.2 g/mol
- Monoisotopic mass
- 355.0014278
Overview
MC-5127 is a nitrobenzoic acid.
Names & identifiers
- Preferred name
- Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
- IUPAC
- ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Names & synonyms
MC-5127ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate51282-65-6C11068AC1L9DZ5CTK1G5071SureCN9852597CHEBI:6614SCHEMBL9852597DTXSID00332050ethyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoateQ27107270
Database identifiers
- CAS
51282-65-6- PubChem CID
- 443064
- DTXSID
DTXSID00332050- ChEBI
CHEBI:6614- Nikkaji
- J2.788.496B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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