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Home > Boronic Acids > 1704067-02-6
1704067-02-6 | 3-(tert-butoxyMethyl)-4-fluorophenylboronic acid
CAS No: 1704067-02-6 Catalog No: AG00AR9N MDL No:MFCD28384220
Product Description
Catalog Number:
AG00AR9N
Chemical Name:
3-(tert-butoxyMethyl)-4-fluorophenylboronic acid
CAS Number:
1704067-02-6
Molecular Formula:
C11H16BFO3
Molecular Weight:
226.0523
MDL Number:
MFCD28384220
IUPAC Name:
[4-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C11H16BFO3/c1-11(2,3)16-7-8-6-9(12(14)15)4-5-10(8)13/h4-6,14-15H,7H2,1-3H3
InChI Key:
FHQNNKDHTRPIPU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)COC(C)(C)C)F)O
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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