Name: 4-(bromomethyl)-5-cyclopropyl-3-(2-(trifluoromethoxy)-phenyl)isoxazole
SMILES:
FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1CBrMolecular Processing
Molecular formula
C14H11BrF3NO2
Molecular weight
362.15
Exact mass
360.9925
XLogP
5.01
TPSA
35.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
73.23
Supplementary Information
Details werden geladen…
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