Benzene, 1-methyl-4-[(trifluoromethyl)thio]-


Chemical Name: Benzene, 1-methyl-4-[(trifluoromethyl)thio]-
CAS Number: 352-68-1
Product Number: AG00C0ZR(AGN-PC-0KKYJX)
Synonyms:
MDL No:
Molecular Formula: C8H7F3S
Molecular Weight: 192.2013896

Identification/Properties


Computed Properties
Molecular Weight:
192.199g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
192.022g/mol
Monoisotopic Mass:
192.022g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
136
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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