B(C1=C(C(=C(C=C1)OCCCCCCCC)F)F)(O)O
CAS: 121219-22-5
Name: (2,3-difluoro-4-octoxyphenyl)boronic acid
SMILES: B(C1=C(C(=C(C=C1)OCCCCCCCC)F)F)(O)O

Molecular Processing

Molecular formula
C14H21BF2O3
Molecular weight
286.13
Exact mass
286.1552
XLogP
2.38
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
75.05

Supplementary Information

InChIKey: GUGMXTUFYGIPHU-UHFFFAOYSA-N
Synonyme
121219-22-5(2,3-Difluoro-4-(octyloxy)phenyl)boronic acid[2,3-Difluoro-4-(octyloxy)phenyl]boronic acidBoronic acid,[2,3-difluoro-4-(octyloxy)phenyl]- (9CI)(2,3-difluoro-4-octoxyphenyl)boronic acidstarbld00193142,3-Difluoro-4-n-octoxyphenylboronic acid2,3-DIFLUORO-4-(OCTYLOXY)-BENZENEBORONIC ACIDSCHEMBL4827415SCHEMBL29546276DTXSID70445843GUGMXTUFYGIPHU-UHFFFAOYSA-N2,3-difluro-4-octoxyphenylboronic acid2,3-difluoro4-octyloxyphenylboronic acid2,3-difluoro-4-octyloxyphenylboronic acid
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