이름: benzoic acid 5-bromomethyl-2-chloro-phenyl ester
SMILES:
O=C(Oc1cc(CBr)ccc1Cl)c1ccccc1Molecular Processing
Molecular formula
C14H10BrClO2
Molecular weight
325.59
Exact mass
323.9553
XLogP
4.45
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
75.48
Supplementary Information
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