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Home > Boronic Acids > 161395-83-1
161395-83-1 | 2-[2-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-VINYL]-PYRIDINE
CAS No: 161395-83-1 Catalog No: AG01DQRQ MDL No:
Product Description
Catalog Number:
AG01DQRQ
Chemical Name:
2-[2-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-VINYL]-PYRIDINE
CAS Number:
161395-83-1
Molecular Formula:
C13H18BNO2
Molecular Weight:
231.0985
IUPAC Name:
2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
InChI:
InChI=1S/C13H18BNO2/c1-12(2)13(3,4)17-14(16-12)9-8-11-7-5-6-10-15-11/h5-10H,1-4H3/b9-8+
InChI Key:
CTWJAXMMJWFSDO-CMDGGOBGSA-N
SMILES:
CC1(C)OB(OC1(C)C)C=Cc1ccccn1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.102g/mol
Monoisotopic Mass:
231.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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