Chemical Formula: C6H6BrNO

Exact Mass: 186.96

Molecular Weight: 188.02

m/z: 186.96 (100.0%), 188.96 (97.3%), 189.96 (6.7%), 187.97 (6.6%)

Elemental Analysis: C, 38.33; H, 3.22; Br, 42.50; N, 7.45; O, 8.51

InChI: InChI=1S/C6H6BrNO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3

InChIKey: WULVUFYZVYHTFX-UHFFFAOYSA-N

Canonical SMILES : COC1=CN=C(C=C1)Br

 

Thermal Properties	Value	Condition	Note
Boiling Point	113 °C	Press: 59 Torr	(1)CAS
Boiling Point	See full text		(2)IC