名称: (2S)-3-[4-(2-bromo-ethoxy)-phenyl]-2-methoxy-propionic acid ethyl ester
SMILES:
CCOC(=O)[C@H](Cc1ccc(OCCBr)cc1)OCMolecular Processing
Molecular formula
C14H19BrO4
Molecular weight
331.21
Exact mass
330.0467
XLogP
2.58
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.87
Supplementary Information
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