이름: 1-tert.-butyl-5-chloro-3-phenyl-2,1-benzisoxazolium tetrafluoroborate
SMILES:
CC(C)(C)[n+]1oc(-c2ccccc2)c2cc(Cl)ccc21.F[B-](F)(F)FMolecular Processing
Molecular formula
C17H17BClF4NO
Molecular weight
373.59
Exact mass
373.1028
XLogP
6.1
TPSA
17.02
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.235
Molar refractivity
92.04
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→