이름: 3-bromo-4-fluorobenzoic acid
SMILES:
O=C(O)c1ccc(F)c(Br)c1Molecular Processing
Molecular formula
C7H4BrFO2
Molecular weight
219.01
Exact mass
217.9379
XLogP
2.29
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
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
Molar refractivity
41.06
Supplementary Information
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