2-(4-Fluoro-3-nitrophenyl)benzoxazole

HCID 21990970
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Basic information

Standard SMILES
O=[N+]([O-])c1cc(-c2nc3ccccc3o2)ccc1F
InChIKey
SHJXBSXVUCVWJX-UHFFFAOYSA-N
Molecular formula
C13H7FN2O3
Average molar mass
258.2 g/mol

Names & identifiers

Preferred name
2-(4-Fluoro-3-nitrophenyl)benzoxazole
IUPAC
2-(4-fluoro-3-nitrophenyl)-1,3-benzoxazole

Names & synonyms

SCHEMBL2686782SHJXBSXVUCVWJX-UHFFFAOYSA-N2-(4-fluoro-3-nitrophenyl)benzoxazole2-(4-fluoro-3-nitrophenyl)-1,3-benzoxazole

Database identifiers

PubChem CID
21990970

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
71.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
19

Related reactions

38 records
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Compound notes

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