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Home > Boronic Acids > 868944-72-3
868944-72-3 | 4-Cyanopyridine-3-boronic acid neopentyl glycol ester
CAS No: 868944-72-3 Catalog No: AG00GUWC MDL No:MFCD08276019
Product Description
Catalog Number:
AG00GUWC
Chemical Name:
4-Cyanopyridine-3-boronic acid neopentyl glycol ester
CAS Number:
868944-72-3
Molecular Formula:
C11H13BN2O2
Molecular Weight:
216.0441
MDL Number:
MFCD08276019
IUPAC Name:
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine-4-carbonitrile
InChI:
InChI=1S/C11H13BN2O2/c1-11(2)7-15-12(16-8-11)10-6-14-4-3-9(10)5-13/h3-4,6H,7-8H2,1-2H3
InChI Key:
LQJDIJNZYFYRPX-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1B1OCC(CO1)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.047g/mol
Monoisotopic Mass:
216.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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