Molecule ID: 29859

IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one

Description: The molecule is a member of the class of benzoxazoles that is 2-benzoxazolinone substituted at position 6 by a bromo group. It is a benzoxazole and an organobromine compound.

SMILES: Oc1nc2ccc(Br)cc2o1

SELFIES: [O][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][#Branch2]

InChI: InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 1.9