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Home > Boronic Acids > 1174766-05-2
1174766-05-2 | 5-(Methoxymethyl)pyridine-3-boronic acid pinacol ester
CAS No: 1174766-05-2 Catalog No: AG00HDZ5 MDL No:MFCD12198144
Product Description
Catalog Number:
AG00HDZ5
Chemical Name:
5-(Methoxymethyl)pyridine-3-boronic acid pinacol ester
CAS Number:
1174766-05-2
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD12198144
IUPAC Name:
3-(methoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)11-6-10(9-16-5)7-15-8-11/h6-8H,9H2,1-5H3
InChI Key:
HVUZCEBLLIWKEE-UHFFFAOYSA-N
SMILES:
COCc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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