Colorless to off-white liquid (or White to off-white crystal)
【Density】
1.416g/cm3
【Melting Point】
33-35℃
【Boiling Point】
89℃(40 torr)
【Refractive Index】
1.447
【Flash Point】
43°C
【Computed Properties】
Molecular Weight:181.54293 [g/mol]
Molecular Formula:C6H3ClF3N
XLogP3:2.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:180.990611
MonoIsotopic Mass:180.990611
Topological Polar Surface Area:12.9
Heavy Atom Count:11
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
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1