SMILES:
O=Cc1cc(Br)c2c(c1)OCCO2Molecular Processing
Molecular formula
C9H7BrO3
Molecular weight
243.06
Exact mass
241.9579
XLogP
2.03
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
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
0.222
Molar refractivity
50.52
Supplementary Information
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