이름: 3-bromo-4-nitro-anisole
SMILES:
COc1ccc([N+](=O)[O-])c(Br)c1Molecular Processing
Molecular formula
C7H6BrNO3
Molecular weight
232.03
Exact mass
230.9531
XLogP
2.37
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
47.35
Supplementary Information
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