OC1C=CC(Cl)=CC1(O)Br
SMILES: OC1C=CC(Cl)=CC1(O)Br

Molecular Processing

Molecular formula
C6H6BrClO2
Molecular weight
225.47
Exact mass
223.924
XLogP
1.12
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
42.96

Supplementary Information

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Involved in 3 reactions→

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