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Home > Boronic Acids > 1842396-18-2

1842396-18-2

1842396-18-2 | methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate

CAS No: 1842396-18-2 Catalog No: AG01DSRZ MDL No:MFCD18723839

Product Description

Catalog Number:
AG01DSRZ
Chemical Name:
methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
CAS Number:
1842396-18-2
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD18723839
IUPAC Name:
methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
InChI:
InChI=1S/C14H20BNO4/c1-9-8-16-11(12(17)18-6)7-10(9)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChI Key:
KEDILZBYBRJVSA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)B1OC(C(O1)(C)C)(C)C)C

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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