Home Boronic acids 2-tert-Butyl-pyridine-5-boronic acid

2-tert-Butyl-pyridine-5-boronic acid

CAS No.:
1174312-53-8
Catalog Number:
AG0092GB
Molecular Formula:
C9H14BNO2
Molecular Weight:
179.0240
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Product Description
Catalog Number:
AG0092GB
Chemical Name:
2-tert-Butyl-pyridine-5-boronic acid
CAS Number:
1174312-53-8
Molecular Formula:
C9H14BNO2
Molecular Weight:
179.0240
MDL Number:
MFCD18254139
IUPAC Name:
(6-tert-butylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C9H14BNO2/c1-9(2,3)8-5-4-7(6-11-8)10(12)13/h4-6,12-13H,1-3H3
InChI Key:
YPVRENWHCBDGTR-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)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
Properties