Name: 8-4
SMILES:
COc1c(Br)cc(F)c([N+](=O)[O-])c1BrMolecular Processing
Molecular formula
C7H4Br2FNO3
Molecular weight
328.92
Exact mass
326.8542
XLogP
3.27
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.143
Molar refractivity
55.01
Supplementary Information
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