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Home > Boronic Acids > 1265478-40-7
1265478-40-7 | Boronic acid, B-[6-(1,1-dimethylethyl)-2-pyridinyl]-
CAS No: 1265478-40-7 Catalog No: AG000SX5 MDL No:MFCD09607737
Product Description
Catalog Number:
AG000SX5
Chemical Name:
Boronic acid, B-[6-(1,1-dimethylethyl)-2-pyridinyl]-
CAS Number:
1265478-40-7
Molecular Formula:
C9H14BNO2
Molecular Weight:
179.0240
MDL Number:
MFCD09607737
IUPAC Name:
(6-tert-butylpyridin-2-yl)boronic acid
InChI:
InChI=1S/C9H14BNO2/c1-9(2,3)7-5-4-6-8(11-7)10(12)13/h4-6,12-13H,1-3H3
InChI Key:
JNMCMDWFHWYATM-UHFFFAOYSA-N
SMILES:
OB(c1cccc(n1)C(C)(C)C)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.026g/mol
Monoisotopic Mass:
179.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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