4-Chloro-2-fluoro-6-(3-methoxybenzoyl)benzonitrile

HCID 58579524
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Basic information

Standard SMILES
COc1cccc(C(=O)c2cc(Cl)cc(F)c2C#N)c1
InChIKey
NSDUUSCVNGATGZ-UHFFFAOYSA-N
Molecular formula
C15H9ClFNO2
Average molar mass
289.69 g/mol

Names & identifiers

Preferred name
4-Chloro-2-fluoro-6-(3-methoxybenzoyl)benzonitrile
IUPAC
4-chloro-2-fluoro-6-(3-methoxybenzoyl)benzonitrile

Names & synonyms

4-chloro-2-fluoro-6-(3-methoxybenzoyl)benzonitrileSCHEMBL2434671NSDUUSCVNGATGZ-UHFFFAOYSA-NDB-3967501227163-34-9

Database identifiers

PubChem CID
58579524

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

Related reactions

4 records
New reaction record

Linked notes

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