名称: Methyl-3-bromo-5-(3-pyridyl)benzoate
SMILES:
COC(=O)c1cc(Br)cc(-c2cccnc2)c1Molecular Processing
Molecular formula
C13H10BrNO2
Molecular weight
292.13
Exact mass
290.9895
XLogP
3.3
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
68.71
Supplementary Information
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