Bromethalin

63333-35-7

CAS Name

Bromethalin

Molecular Formula

C₁₄H₇Br₃F₃N₃O₄

Molecular Mass

577.93

Compound Properties

• Melting Point (1)

  150-151 °C

Source(s)

• (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3

InChIKey

InChIKey=USMZPYXTVKAYST-UHFFFAOYSA-N

SMILES

N(C)(C1=C(C(F)(F)F)C=C(N(=O)=O)C=C1N(=O)=O)C2=C(Br)C=C(Br)C=C2Br

Canonical SMILES

O=N(=O)C=1C=C(C(=C(C1)C(F)(F)F)N(C=2C(Br)=CC(Br)=CC2Br)C)N(=O)=O

Other Names for this Substance