B(C1=CC=C(C=C1)CCCCCCCC)(O)O
CAS: 133997-05-4
Name: (4-octylphenyl)boronic acid
SMILES: B(C1=CC=C(C=C1)CCCCCCCC)(O)O

Molecular Processing

Molecular formula
C14H23BO2
Molecular weight
234.15
Exact mass
234.1791
XLogP
2.27
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
73.35

Supplementary Information

InChIKey: HUKDAABRKOWPNA-UHFFFAOYSA-N
Synonyme
(4-octylphenyl)boronic Acid133997-05-44-(n-Octyl)benzeneboronic acid4-octylphenylboronic acidMFCD04039034(4-octylphenyl)boronicAcidp-n-octylphenylboronic acidSCHEMBL1021739DTXSID50400718HUKDAABRKOWPNA-UHFFFAOYSA-NIFA99705AKOS004116143DS-18678DB-063005CS-0178448C72354F623349
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