Basic information
- Standard SMILES
CCOC(=O)c1cc(N)c(F)cc1Cl- InChIKey
ZSPZAOASMCGAES-UHFFFAOYSA-N- Molecular formula
- C9H9ClFNO2
- Average molar mass
- 217.62 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-amino-2-chloro-4-fluorobenzoate
- IUPAC
- ethyl 5-amino-2-chloro-4-fluorobenzoate
Names & synonyms
ethyl 5-amino-2-chloro-4-fluorobenzoate81664-52-0SCHEMBL4681116SCHEMBL30508547ZSPZAOASMCGAES-UHFFFAOYSA-NAKOS012323113AT20084DB-206556EN300-50153525-Amino-2-chloro-4-fluorobenzoic acid ethyl ester
Database identifiers
- PubChem CID
- 22508461
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
11 records
Compound notes
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