Name: 1-((4-bromo-2-nitrophenoxy)methyl)benzene
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1Molecular Processing
Molecular formula
C20H23BrN2O3
Molecular weight
419.32
Exact mass
418.0892
XLogP
4.52
TPSA
67.43
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
106.08
Supplementary Information
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