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Home > Boronic Acids > 1218790-18-1
1218790-18-1 | 2-Pyridinecarboxylic acid, 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1218790-18-1 Catalog No: AG00167U MDL No:MFCD13195767
Product Description
Catalog Number:
AG00167U
Chemical Name:
2-Pyridinecarboxylic acid, 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1218790-18-1
Molecular Formula:
C13H17BFNO4
Molecular Weight:
281.0878
MDL Number:
MFCD13195767
IUPAC Name:
methyl 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
InChI:
InChI=1S/C13H17BFNO4/c1-12(2)13(3,4)20-14(19-12)8-6-10(11(17)18-5)16-7-9(8)15/h6-7H,1-5H3
InChI Key:
BJMXRGXGJNDFBT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.09g/mol
Monoisotopic Mass:
281.123g/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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