SMILES:
O=C(Cl)C=Cc1cccc(Br)c1Molecular Processing
Molecular formula
C9H6BrClO
Molecular weight
245.5
Exact mass
243.9291
XLogP
3.23
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
54.04
Supplementary Information
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