5-Bromo-7-methyl-2-(4-nitrophenyl)-1,3-benzoxazole

HCID 67140752
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Basic information

Standard SMILES
Cc1cc(Br)cc2nc(-c3ccc([N+](=O)[O-])cc3)oc12
InChIKey
ZUHIICOGYPWFNP-UHFFFAOYSA-N
Molecular formula
C14H9BrN2O3
Average molar mass
333.14 g/mol
Monoisotopic mass
331.97965

Names & identifiers

Preferred name
5-Bromo-7-methyl-2-(4-nitrophenyl)-1,3-benzoxazole
IUPAC
5-bromo-7-methyl-2-(4-nitrophenyl)-1,3-benzoxazole

Names & synonyms

SCHEMBL1734833

Database identifiers

PubChem CID
67140752

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
71.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
20

Related reactions

1 records
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Compound notes

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