Benzenethiol, pentafluoro-


Chemical Name: Benzenethiol, pentafluoro-
CAS Number: 771-62-0
Product Number: AG003TLS(AGN-PC-0JKAY2)
Synonyms:
MDL No:
Molecular Formula: C6HF5S
Molecular Weight: 200.1292

Identification/Properties


Properties
MP:
−24 °C(lit.)
BP:
143.0°C
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.4645(lit.)
Computed Properties
Molecular Weight:
200.126g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
199.972g/mol
Monoisotopic Mass:
199.972g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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