Name: ethyl 2-(3,5-dibromopyridin-4-yl)-2-oxoacetate
SMILES:
CCOC(=O)C(=O)c1c(Br)cncc1BrMolecular Processing
Molecular formula
C9H7Br2NO3
Molecular weight
336.97
Exact mass
334.8793
XLogP
2.35
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
60.6
Supplementary Information
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