名称: 3-(3,5-Dibromo-2-oxo-1(2H)-pyrazinyl)-5-fluoro-4-methyl-benzoic acid, ethyl ester
SMILES:
CCOC(=O)c1cc(F)c(C)c(-n2cc(Br)nc(Br)c2=O)c1Molecular Processing
Molecular formula
C14H11Br2FN2O3
Molecular weight
434.06
Exact mass
431.912
XLogP
3.38
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
85.89
Supplementary Information
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