이름: 1-bromo-3-chloro-2-methyl-5-nitrobenzene
SMILES:
Cc1c(Cl)cc([N+](=O)[O-])cc1BrMolecular Processing
Molecular formula
C7H5BrClNO2
Molecular weight
250.48
Exact mass
248.9192
XLogP
3.32
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
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
50.54
Supplementary Information
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