Name: 4-bromo-1-chloro-5-nitroisoquinoline
SMILES:
O=[N+]([O-])c1cccc2c(Cl)ncc(Br)c12Molecular Processing
Molecular formula
C9H4BrClN2O2
Molecular weight
287.5
Exact mass
285.9145
XLogP
3.56
TPSA
56.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
61.11
Supplementary Information
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Involved in 4 reactions→