Name: N-(4-bromo-2-methoxy-6-nitrophenyl)acetamide
SMILES:
COc1cc(Br)cc([N+](=O)[O-])c1NC(C)=OMolecular Processing
Molecular formula
C9H9BrN2O4
Molecular weight
289.09
Exact mass
287.9746
XLogP
2.32
TPSA
81.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
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
0.222
Molar refractivity
61.65
Supplementary Information
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