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Home > Boronic Acids > 871125-72-3
871125-72-3 | (4-Ethoxy-2,3,5,6-tetrafluorophenyl)boronic acid
CAS No: 871125-72-3 Catalog No: AG003BVK MDL No:MFCD07784385
Product Description
Catalog Number:
AG003BVK
Chemical Name:
(4-Ethoxy-2,3,5,6-tetrafluorophenyl)boronic acid
CAS Number:
871125-72-3
Molecular Formula:
C8H7BF4O3
Molecular Weight:
237.9440
MDL Number:
MFCD07784385
IUPAC Name:
(4-ethoxy-2,3,5,6-tetrafluorophenyl)boronic acid
InChI:
InChI=1S/C8H7BF4O3/c1-2-16-8-6(12)4(10)3(9(14)15)5(11)7(8)13/h14-15H,2H2,1H3
InChI Key:
IPNVLSNRALXTDR-UHFFFAOYSA-N
SMILES:
CCOc1c(F)c(F)c(c(c1F)F)B(O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.945g/mol
Monoisotopic Mass:
238.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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