B(C1=C(C(=C(C=C1)OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)(O)O
이름: [2,3-difluoro-4-(5,5,6,6,7,7,8,8,8-nonafluorooctoxy)phenyl]boronic acid
SMILES: B(C1=C(C(=C(C=C1)OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)(O)O

Molecular Processing

Molecular formula
C14H12BF11O3
Molecular weight
448.04
Exact mass
448.0704
XLogP
3.66
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
76.43

Supplementary Information

InChIKey: OZJPEYPVEPYQID-UHFFFAOYSA-N
동의어
2,3-Difluoro-4-(5,5,6,6,7,7,8,8,8-nonafluoro-octyloxy)-phenylboronic AcidSCHEMBL4863163
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