名称: 4-(4-bromo-2,5-dichloro-phenoxy)-6-methyl-nicotinic acid
SMILES:
Cc1cc(Oc2cc(Cl)c(Br)cc2Cl)c(C(=O)O)cn1Molecular Processing
Molecular formula
C13H8BrCl2NO3
Molecular weight
377.02
Exact mass
374.9065
XLogP
4.95
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
80.17
Supplementary Information
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