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Home > Boronic Acids > 864773-67-1
864773-67-1 | 6-Fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indazole
CAS No: 864773-67-1 Catalog No: AG004QP8 MDL No:MFCD11044598
Product Description
Catalog Number:
AG004QP8
Chemical Name:
6-Fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indazole
CAS Number:
864773-67-1
Molecular Formula:
C14H18BFN2O2
Molecular Weight:
276.1143
MDL Number:
MFCD11044598
IUPAC Name:
6-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
InChI:
InChI=1S/C14H18BFN2O2/c1-8-9-6-10(11(16)7-12(9)18-17-8)15-19-13(2,3)14(4,5)20-15/h6-7H,1-5H3,(H,17,18)
InChI Key:
OTNIGJGWROAJRQ-UHFFFAOYSA-N
SMILES:
Fc1cc2[nH]nc(c2cc1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.118g/mol
Monoisotopic Mass:
276.145g/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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