Name: 2-bromo-1-(4,5-dihydro-5-(2,6-difluorophenyl)-3-isoxazolyl)ethanone
SMILES:
O=C(CBr)C1=NOC(c2c(F)cccc2F)C1Molecular Processing
Molecular formula
C11H8BrF2NO2
Molecular weight
304.09
Exact mass
302.9706
XLogP
2.75
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
61.04
Supplementary Information
Details werden geladen…
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