이름: 3-bromo-5-tert-butyl-6-hydroxy-2-methyl-benzoic acid phenyl ester
SMILES:
Cc1c(Br)cc(C(C)(C)C)c(O)c1C(=O)Oc1ccccc1Molecular Processing
Molecular formula
C18H19BrO3
Molecular weight
363.25
Exact mass
362.0518
XLogP
4.98
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
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
0.278
Molar refractivity
90.64
Supplementary Information
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