5-Chloro-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzoic acid
Basic information
- CAS
24727-01-3- Standard SMILES
O=C(COc1ccc(Cl)cc1C(=O)O)NCc1ccc(Cl)cc1- InChIKey
QVFUZMLKAQQWSV-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2NO4
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 353.0221633
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzoic acid
- IUPAC
- 5-chloro-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzoic acid
Names & synonyms
24727-01-3NSC2121425-chloro-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzoic acidDTXSID90309493NSC-2121425-Chloro-2-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethoxy)benzoic acid
Database identifiers
- CAS
24727-01-3- PubChem CID
- 309729
- DTXSID
DTXSID90309493
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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