3-(2-Bromo-ethyl)-2-chloro-4-fluoro-benzonitrile

HCID 67007019
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Basic information

Standard SMILES
N#Cc1ccc(F)c(CCBr)c1Cl
InChIKey
FKWSUYXMCBYJQE-UHFFFAOYSA-N
Molecular formula
C9H6BrClFN
Average molar mass
262.5 g/mol

Names & identifiers

Preferred name
3-(2-Bromo-ethyl)-2-chloro-4-fluoro-benzonitrile
IUPAC
3-(2-bromoethyl)-2-chloro-4-fluorobenzonitrile

Names & synonyms

SCHEMBL1365870FKWSUYXMCBYJQE-UHFFFAOYSA-N3-(2-bromoethyl)-2-chloro-4-fluorobenzonitrile3-(2-Bromo-ethyl)-2-chloro-4-fluoro-benzonitrile

Database identifiers

PubChem CID
67007019

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Related reactions

8 records
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Compound notes

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