COC(=O)C(Br)c1ccccc1Cl
Name: α-bromo-2-chlorophenyl acetic acid methyl ester
SMILES: COC(=O)C(Br)c1ccccc1Cl

Molecular Processing

Molecular formula
C9H8BrClO2
Molecular weight
263.52
Exact mass
261.9396
XLogP
2.95
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
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
55.14

Supplementary Information

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