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CAS Number: 942473-85-0
3-bromo-4-fluorobenzenethiol

Structure

3-bromo-4-fluorobenzenethiol
Name: 3-bromo-4-fluorobenzenethiol
Synonyms:
General Information
Product Number: 942473850
CAS Registry Number: 942473-85-0
Name:
Benzenethiol, 3-​bromo-​4-​fluoro-
3-​Bromo-​4-​fluorobenzenethiol 
 
Chemical Formula: C6H4BrFS
Exact Mass: 205.92
Molecular Weight: 207.06
m/z: 207.92 (100.0%), 205.92 (98.2%), 208.92 (7.3%), 206.92 (7.2%), 209.91 (4.3%)
Elemental Analysis: C, 34.80; H, 1.95; Br, 38.59; F, 9.18; S, 15.49
 
InChI: InChI=1S/C6H4BrFS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKey: HXQRAQKAGXRFEM-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1S)Br)F

Specification

98%

References

PCT Int. Appl. (2013), WO 2013097601 A1 20130704.                                  

PCT Int. Appl. (2012), WO 2012149413 A1 20121101.

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