Name: N-{3-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enylidene}-N-methylmethanaminium hexafluorophosphate
SMILES:
CC(C=C(Cl)c1ccc(C(F)(F)F)cc1)=[N+](C)C.F[P-](F)(F)(F)(F)FMolecular Processing
Molecular formula
C13H14ClF9NP
Molecular weight
421.67
Exact mass
421.0409
XLogP
7.4
TPSA
3.01
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
81.63
Supplementary Information
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Involved in 1 reactions→