이름: 4-Bromonicotinic acid methyl ester
SMILES:
COC(=O)c1cnccc1BrMolecular Processing
Molecular formula
C7H6BrNO2
Molecular weight
216.03
Exact mass
214.9582
XLogP
1.63
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
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
0.143
Molar refractivity
43.28
Supplementary Information
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