이름: 3-bromo-2-nitrobenzo[b]thiophene
SMILES:
O=[N+]([O-])c1sc2ccccc2c1BrMolecular Processing
Molecular formula
C8H4BrNO2S
Molecular weight
258.1
Exact mass
256.9146
XLogP
3.57
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
56.18
Supplementary Information
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