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Home > Boronic Acids > 1332650-85-7
1332650-85-7 | (2-(tert-butoxymethyl)-5-fluorophenyl)boronic acid
CAS No: 1332650-85-7 Catalog No: AG01DUCQ MDL No:
Product Description
Catalog Number:
AG01DUCQ
Chemical Name:
(2-(tert-butoxymethyl)-5-fluorophenyl)boronic acid
CAS Number:
1332650-85-7
Molecular Formula:
C11H16BFO3
Molecular Weight:
226.0523
IUPAC Name:
[5-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C11H16BFO3/c1-11(2,3)16-7-8-4-5-9(13)6-10(8)12(14)15/h4-6,14-15H,7H2,1-3H3
InChI Key:
LHQNRNXARAPRIX-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)COC(C)(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.054g/mol
Monoisotopic Mass:
226.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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