Ethyl 4-[(3-chloro-2-pyridinyl)amino]benzoate
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Basic information
- CAS
1163681-45-5- Standard SMILES
CCOC(=O)c1ccc(Nc2ncccc2Cl)cc1- InChIKey
CRWWASABDVKDCW-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
- Monoisotopic mass
- 276.0665554
Names & identifiers
- Preferred name
- Ethyl 4-[(3-chloro-2-pyridinyl)amino]benzoate
- IUPAC
- ethyl 4-[(3-chloro-2-pyridinyl)amino]benzoate
- English name
- ethyl 4-[(3-chloropyridin-2-yl)amino]benzoate
- Molecular formula
- C14H13ClN2O2
- Molecular weight
- 276.72
Names & synonyms
ethyl 4-[(3-chloropyridin-2-yl)amino]benzoateBenzoic acid, 4-[(3-chloro-2-pyridinyl)amino]-, ethyl ester
Database identifiers
- CAS
1163681-45-5- PubChem CID
- 101790987
- Nikkaji
- J2.943.071C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
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Compound notes
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