C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)Cl
Name: [4-(1,3-benzoxazol-2-yl)-2-chlorophenyl] trifluoromethanesulfonate
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)Cl

Molecular Processing

Molecular formula
C14H7ClF3NO4S
Molecular weight
377.73
Exact mass
376.9736
XLogP
4.38
TPSA
69.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
80.06

Supplementary Information

InChIKey: ZQBSUCSJGIZJLR-UHFFFAOYSA-N
Synonyme
4-(1,3-benzoxazol-2-yl)-2-chlorophenyl trifluoromethanesulfonateSCHEMBL5831846
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