B(C1=C(C=C(C=C1C)C)C)(O)O
CAS: 5980-97-2
Nombre: (2,4,6-trimethylphenyl)boronic acid
SMILES: B(C1=C(C=C(C=C1C)C)C)(O)O

Molecular Processing

Molecular formula
C9H13BO2
Molecular weight
164.01
Exact mass
164.1009
XLogP
0.29
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
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
0.333
Molar refractivity
50.48

Supplementary Information

InChIKey: BZXQRXJJJUZZAJ-UHFFFAOYSA-N
Sinónimos
2,4,6-Trimethylbenzeneboronic acidRefChem:442958672-285-52,4,6-Trimethylphenylboronic acid5980-97-2Mesitylboronic acid(2,4,6-trimethylphenyl)boronic acid2-Mesityleneboronic acidMFCD00236060BORONIC ACID, (2,4,6-TRIMETHYLPHENYL)-Mesityleneboronic acidNSC-1578327J3E8CV75YB-(2,4,6-Trimethylphenyl)boronic acidBORONIC ACID, B-(2,4,6-TRIMETHYLPHENYL)-mesityl boronic acidMesitylene-2-boronic acidUNII-7J3E8CV75YSCHEMBL448143DTXSID703033132,4,6-TriMethylphenylboronicacid2,4,6-trimethyl phenylboronic acid2,4,6-trimethylphenyl boronic acid2,4,6-TRIMETHYLBORONIC ACIDNSC157832AKOS0002850662,4,6-tri-methyl-phenyl-boronic acidAB05359AC-5391CS-W016097
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