Name: ethyl 3-bromo-4-chlorobenzoate
SMILES:
CCOC(=O)c1ccc(Cl)c(Br)c1Molecular Processing
Molecular formula
C9H8BrClO2
Molecular weight
263.52
Exact mass
261.9396
XLogP
3.28
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
55.11
Supplementary Information
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