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Home > Boronic Acids > 1260518-74-8
1260518-74-8 | Boronic acid, B-[2-ethoxy-4-(trifluoromethyl)phenyl]-
CAS No: 1260518-74-8 Catalog No: AG000QTX MDL No:MFCD18087684
Product Description
Catalog Number:
AG000QTX
Chemical Name:
Boronic acid, B-[2-ethoxy-4-(trifluoromethyl)phenyl]-
CAS Number:
1260518-74-8
Molecular Formula:
C9H10BF3O3
Molecular Weight:
233.9801
MDL Number:
MFCD18087684
IUPAC Name:
[2-ethoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H10BF3O3/c1-2-16-8-5-6(9(11,12)13)3-4-7(8)10(14)15/h3-5,14-15H,2H2,1H3
InChI Key:
LWIPWPSKZPQBCK-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1B(O)O)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.981g/mol
Monoisotopic Mass:
234.068g/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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