[4-(5-Chloro-1,3-benzoxazol-2-yl)-2-fluorophenyl]acetonitrile

HCID 21990953
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1F
InChIKey
IJMLQBYBVYAREI-UHFFFAOYSA-N
Molecular formula
C15H8ClFN2O
Average molar mass
286.69 g/mol

Names & identifiers

Preferred name
[4-(5-Chloro-1,3-benzoxazol-2-yl)-2-fluorophenyl]acetonitrile
IUPAC
2-[4-(5-chloro-1,3-benzoxazol-2-yl)-2-fluorophenyl]acetonitrile

Names & synonyms

SCHEMBL5832573IJMLQBYBVYAREI-UHFFFAOYSA-N[4-(5-chloro-1,3-benzoxazol-2-yl)-2-fluorophenyl]acetonitrile

Database identifiers

PubChem CID
21990953

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
49.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

Loading…