Name: 1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene
SMILES:
O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C8H5BrF3NO2
Molecular weight
284.03
Exact mass
282.9456
XLogP
3.51
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
50.73
Supplementary Information
Details werden geladen…
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