이름: 1-bromo-2,3-dimethyl-5-nitrobenzene
SMILES:
Cc1cc([N+](=O)[O-])cc(Br)c1CMolecular Processing
Molecular formula
C8H8BrNO2
Molecular weight
230.06
Exact mass
228.9738
XLogP
2.97
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
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
50.27
Supplementary Information
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