2-Chloro-1-ethyl-4-fluorobenzene

HCID 21341208

Notes Reactions

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Basic information

Standard SMILES: CCc1ccc(F)cc1Cl
InChIKey: NIHOFUPGUVQJBQ-UHFFFAOYSA-N
Molecular formula: C8H8ClF
Average molar mass: 158.6 g/mol

Names & identifiers

Preferred name: 2-Chloro-1-ethyl-4-fluorobenzene
IUPAC: 2-chloro-1-ethyl-4-fluorobenzene

Names & synonyms

2-chloro-1-ethyl-4-fluorobenzene891844-00-13-Chloro-4-ethylfluorobenzeneSCHEMBL257076SCHEMBL2764669SCHEMBL5422596NIHOFUPGUVQJBQ-UHFFFAOYSA-NMFCD22490751EN300-329583H79194

Database identifiers

PubChem CID: 21341208

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Related reactions

2 records

New reaction record

HRID 2105069As reactantuspto-grants-2009_08

HRID 2344916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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