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Home > Boronic Acids > 1256346-20-9
1256346-20-9 | Boronic acid, B-(4-chloro-3-ethoxy-2-fluorophenyl)-
CAS No: 1256346-20-9 Catalog No: AG000O1D MDL No:MFCD17015737
Product Description
Catalog Number:
AG000O1D
Chemical Name:
Boronic acid, B-(4-chloro-3-ethoxy-2-fluorophenyl)-
CAS Number:
1256346-20-9
Molecular Formula:
C8H9BClFO3
Molecular Weight:
218.4177
MDL Number:
MFCD17015737
IUPAC Name:
(4-chloro-3-ethoxy-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H9BClFO3/c1-2-14-8-6(10)4-3-5(7(8)11)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key:
ZYYWSKDKBTVQBH-UHFFFAOYSA-N
SMILES:
CCOc1c(Cl)ccc(c1F)B(O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.415g/mol
Monoisotopic Mass:
218.032g/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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