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Home > Boronic Acids > 123598-51-6
123598-51-6 | Boronic acid, B-[3-fluoro-4-(octyloxy)phenyl]-
CAS No: 123598-51-6 Catalog No: AG000KU1 MDL No:
Product Description
Catalog Number:
AG000KU1
Chemical Name:
Boronic acid, B-[3-fluoro-4-(octyloxy)phenyl]-
CAS Number:
123598-51-6
Molecular Formula:
C14H22BFO3
Molecular Weight:
268.1321
IUPAC Name:
(3-fluoro-4-octoxyphenyl)boronic acid
InChI:
InChI=1S/C14H22BFO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11,17-18H,2-7,10H2,1H3
InChI Key:
JPSMNWCMLLSLNL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1F)B(O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.135g/mol
Monoisotopic Mass:
268.165g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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