이름: (2-bromo-3-fluoro-6-nitrophenyl)methylamine
SMILES:
NCc1c([N+](=O)[O-])ccc(F)c1BrMolecular Processing
Molecular formula
C7H6BrFN2O2
Molecular weight
249.04
Exact mass
247.9597
XLogP
1.96
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
48.65
Supplementary Information
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