5-Chloro-2-(2-fluoronitrobenzen-5-yl)benzoxazole

HCID 67497553
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Basic information

Standard SMILES
O=[N+]([O-])c1cc(-c2nc3cc(Cl)ccc3o2)ccc1F
InChIKey
HWNATBPYPIVCQF-UHFFFAOYSA-N
Molecular formula
C13H6ClFN2O3
Average molar mass
292.65 g/mol

Names & identifiers

Preferred name
5-Chloro-2-(2-fluoronitrobenzen-5-yl)benzoxazole
IUPAC
5-chloro-2-(4-fluoro-3-nitrophenyl)-1,3-benzoxazole

Names & synonyms

SCHEMBL2686066HWNATBPYPIVCQF-UHFFFAOYSA-N5-chloro-2-(2-fluoronitrobenzen-5-yl)benzoxazole

Database identifiers

PubChem CID
67497553

Properties

Computed structural properties

XLogP
4
Topological polar surface area
71.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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