Benzonitrile, 4-[(trifluoromethyl)thio]-


Chemical Name: Benzonitrile, 4-[(trifluoromethyl)thio]-
CAS Number: 332-26-3
Product Number: AG00I6GJ(AGN-PC-0KKZI2)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NS
Molecular Weight: 203.1843

Identification/Properties


Computed Properties
Molecular Weight:
203.182g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
203.002g/mol
Monoisotopic Mass:
203.002g/mol
Topological Polar Surface Area:
49.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
209
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

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NMR Spectrum


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