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Home > Boronic Acids > 885698-71-5
885698-71-5 | 6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indazole
CAS No: 885698-71-5 Catalog No: AG004BNA MDL No:MFCD11044600
Product Description
Catalog Number:
AG004BNA
Chemical Name:
6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indazole
CAS Number:
885698-71-5
Molecular Formula:
C13H16BFN2O2
Molecular Weight:
262.0877
MDL Number:
MFCD11044600
IUPAC Name:
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
InChI:
InChI=1S/C13H16BFN2O2/c1-12(2)13(3,4)19-14(18-12)10-5-8(15)6-11-9(10)7-16-17-11/h5-7H,1-4H3,(H,16,17)
InChI Key:
OTZMRGFPBXSAKG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(F)cc2c1cn[nH]2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.091g/mol
Monoisotopic Mass:
262.129g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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