Nombre: 2-(3-bromophenyl)-2-(tert-butoxycarbonyl)propanoic acid
SMILES:
CC(C)(C)OC(=O)C(C)(C(=O)O)c1cccc(Br)c1Molecular Processing
Molecular formula
C14H17BrO4
Molecular weight
329.19
Exact mass
328.031
XLogP
3.13
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
74.97
Supplementary Information
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