Chemical Formula: C7H8BrNO3

Exact Mass: 232.97

Molecular Weight: 234.05

m/z: 232.97 (100.0%), 234.97 (97.9%), 233.97 (8.1%), 235.97 (7.6%)

Elemental Analysis: C, 35.92; H, 3.45; Br, 34.14; N, 5.98; O, 20.51

InChI: InChI=1S/C7H8BrNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3

InChIKey: WGYWHPXMHCTBIS-UHFFFAOYSA-N

Canonical SMILES : CCOC(=O)C1=NOC(=C1)CBr

 

Thermal Properties	Value	Condition	Note
Boiling Point	98-100 °C	Press: 0.25 Torr	(1)IC