O=[N+]([O-])c1cc(C(F)(F)F)cnc1Br
Name: 2-Bromo-3-nitro-5-trifluoromethyl-pyridine
SMILES: O=[N+]([O-])c1cc(C(F)(F)F)cnc1Br

Molecular Processing

Molecular formula
C6H2BrF3N2O2
Molecular weight
270.99
Exact mass
269.9252
XLogP
2.77
TPSA
56.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
43.59

Supplementary Information

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