Benzene, 1-bromo-3-[(trifluoromethyl)thio]-


Chemical Name: Benzene, 1-bromo-3-[(trifluoromethyl)thio]-
CAS Number: 2252-45-1
Product Number: AG00BCYF(AGN-PC-0KK7RO)
Synonyms:
MDL No:
Molecular Formula: C7H4BrF3S
Molecular Weight: 257.0709

Identification/Properties


Properties
BP:
161.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Stability:
Stench
Refractive Index:
1.5117 (589.3 nm 25℃)
Computed Properties
Molecular Weight:
257.068g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
255.917g/mol
Monoisotopic Mass:
255.917g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
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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