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Home > Boronic Acids > 871126-14-6
871126-14-6 | (6-Bromo-3-ethoxy-2-fluorophenyl);boronic acid
CAS No: 871126-14-6 Catalog No: AG003BYS MDL No:MFCD09475871
Product Description
Catalog Number:
AG003BYS
Chemical Name:
(6-Bromo-3-ethoxy-2-fluorophenyl);boronic acid
CAS Number:
871126-14-6
Molecular Formula:
C8H9BBrFO3
Molecular Weight:
262.8687
MDL Number:
MFCD09475871
IUPAC Name:
(6-bromo-3-ethoxy-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H9BBrFO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key:
GCNQUSXPZGIAQM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1F)B(O)O)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.869g/mol
Monoisotopic Mass:
261.981g/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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