2-(3-Nitro-6-fluorophenyl)-5,7-dichlorobenzoxazole

HCID 21884490
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(F)c(-c2nc3cc(Cl)cc(Cl)c3o2)c1
InChIKey
FJNQBSVDEYCHKM-UHFFFAOYSA-N
Molecular formula
C13H5Cl2FN2O3
Average molar mass
327.09 g/mol

Names & identifiers

Preferred name
2-(3-Nitro-6-fluorophenyl)-5,7-dichlorobenzoxazole
IUPAC
5,7-dichloro-2-(2-fluoro-5-nitrophenyl)-1,3-benzoxazole

Names & synonyms

SCHEMBL5834492FJNQBSVDEYCHKM-UHFFFAOYSA-N2-(3-Nitro-6-fluorophenyl)-5,7-dichlorobenzoxazole

Database identifiers

PubChem CID
21884490

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
71.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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