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Home > Boronic Acids > 1622216-98-1
1622216-98-1 | Methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
CAS No: 1622216-98-1 Catalog No: AG00AR0E MDL No:MFCD16995192
Product Description
Catalog Number:
AG00AR0E
Chemical Name:
Methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
CAS Number:
1622216-98-1
Molecular Formula:
C13H17BClNO4
Molecular Weight:
297.5424
MDL Number:
MFCD16995192
IUPAC Name:
methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C13H17BClNO4/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(17)18-5)10(15)16-7-8/h6-7H,1-5H3
InChI Key:
UVEFLSVJRDSQOO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.542g/mol
Monoisotopic Mass:
297.094g/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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