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Home > Boronic Acids > 2246736-67-2
2246736-67-2 | 2-(3-((4-bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 2246736-67-2 Catalog No: AG01FL77 MDL No:
Product Description
Catalog Number:
AG01FL77
Chemical Name:
2-(3-((4-bromo-2-fluorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
2246736-67-2
Molecular Formula:
C19H21BBrFO3
Molecular Weight:
407.0816
IUPAC Name:
2-[3-[(4-bromo-2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C19H21BBrFO3/c1-18(2)19(3,4)25-20(24-18)14-7-5-6-13(10-14)12-23-17-9-8-15(21)11-16(17)22/h5-11H,12H2,1-4H3
InChI Key:
CRCKDLZBDKWIQN-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.075g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.086g/mol
Monoisotopic Mass:
406.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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