Nombre: 1-chloro-3-fluoro-2-(1-fluoroethyl)benzene
SMILES:
CC(C1=C(C=CC=C1Cl)F)FMolecular Processing
Molecular formula
C8H7ClF2
Molecular weight
176.59
Exact mass
176.0204
XLogP
3.51
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
40.93
Supplementary Information
InChIKey: YMQJDWGDPFIVAU-UHFFFAOYSA-N
Sinónimos
SCHEMBL1397081YMQJDWGDPFIVAU-UHFFFAOYSA-N1-chloro-3-fluoro-2-(1-fluoroethyl)benzene
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