Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
Basic information
- CAS
20745-74-8- Standard SMILES
COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
FFJHLIHIQMHCOK-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O6
- Average molar mass
- 364.73 g/mol
- Monoisotopic mass
- 364.0462138
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
- IUPAC
- methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
Names & synonyms
20745-74-8methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoateNSC211080DTXSID80309083NSC-211080
Database identifiers
- CAS
20745-74-8- PubChem CID
- 308949
- DTXSID
DTXSID80309083
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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