이름: Methyl 5-bromo-4-fluoro-2-methoxy-3-nitrobenzoate
SMILES:
COC(=O)c1cc(Br)c(F)c([N+](=O)[O-])c1OCMolecular Processing
Molecular formula
C9H7BrFNO5
Molecular weight
308.06
Exact mass
306.9492
XLogP
2.29
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
58.65
Supplementary Information
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