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Home > Boronic Acids > 871332-96-6
871332-96-6 | 3-Ethoxy-5-(trifluoromethyl)phenylboronic acid
CAS No: 871332-96-6 Catalog No: AG004TVB MDL No:MFCD08056361
Product Description
Catalog Number:
AG004TVB
Chemical Name:
3-Ethoxy-5-(trifluoromethyl)phenylboronic acid
CAS Number:
871332-96-6
Molecular Formula:
C9H10BF3O3
Molecular Weight:
233.9801
MDL Number:
MFCD08056361
IUPAC Name:
[3-ethoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H10BF3O3/c1-2-16-8-4-6(9(11,12)13)3-7(5-8)10(14)15/h3-5,14-15H,2H2,1H3
InChI Key:
ATZRXKHRSOTBAM-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1)C(F)(F)F)B(O)O
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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