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Home > Boronic Acids > 1309980-12-8
1309980-12-8 | 2,5-DiMethylpyridine-3-boronic acid pinacol ester
CAS No: 1309980-12-8 Catalog No: AG009HM7 MDL No:MFCD17012671
Product Description
Catalog Number:
AG009HM7
Chemical Name:
2,5-DiMethylpyridine-3-boronic acid pinacol ester
CAS Number:
1309980-12-8
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD17012671
IUPAC Name:
2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H20BNO2/c1-9-7-11(10(2)15-8-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
InChI Key:
YBBSPCPDRHRFBS-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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