Name: 1-(Cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazol-5-yl trifluoromethanesulfonate
SMILES:
O=S(=O)(Oc1ccc2c(nnn2CC2CC2)c1C(F)(F)F)C(F)(F)FMolecular Processing
Molecular formula
C12H9F6N3O3S
Molecular weight
389.28
Exact mass
389.0269
XLogP
3.09
TPSA
74.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.86
Supplementary Information
Details werden geladen…
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