Name: 4-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylvaleric acid-methyl ester
SMILES:
COC(=O)C(O)CC(C)(C)c1cc(F)ccc1BrMolecular Processing
Molecular formula
C13H16BrFO3
Molecular weight
319.17
Exact mass
318.0267
XLogP
2.79
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
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
0.462
Molar refractivity
69.77
Supplementary Information
Details werden geladen…
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