名称: 5-bromoisatin
SMILES:
O=C1Nc2ccc(Br)cc2C1=OMolecular Processing
Molecular formula
C8H4BrNO2
Molecular weight
226.03
Exact mass
224.9425
XLogP
1.58
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.1
Supplementary Information
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