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Home > Boronic Acids > 1333319-72-4
1333319-72-4 | 1H-Indazole-1-carboxylic acid, 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1333319-72-4 Catalog No: AG0014O3 MDL No:
Product Description
Catalog Number:
AG0014O3
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1333319-72-4
Molecular Formula:
C18H24BFN2O4
Molecular Weight:
362.2036
IUPAC Name:
tert-butyl 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
InChI:
InChI=1S/C18H24BFN2O4/c1-16(2,3)24-15(23)22-14-9-11(20)8-13(12(14)10-21-22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChI Key:
WDZOMMFFIMMYEY-UHFFFAOYSA-N
SMILES:
Fc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)n(nc2)C(=O)OC(C)(C)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.181g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.208g/mol
Monoisotopic Mass:
362.181g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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