Name: (5-Bromo-2-chloro-pyridin-3-yl)-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1cc(Br)cnc1ClMolecular Processing
Molecular formula
C9H9BrClNO2
Molecular weight
278.53
Exact mass
276.9505
XLogP
2.6
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
57.28
Supplementary Information
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