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Home > Boronic Acids > 871125-73-4
871125-73-4 | (2,4,6-Trifluoro-3-isopropoxyphenyl)boronic acid
CAS No: 871125-73-4 Catalog No: AG0032BW MDL No:MFCD07784388
Product Description
Catalog Number:
AG0032BW
Chemical Name:
(2,4,6-Trifluoro-3-isopropoxyphenyl)boronic acid
CAS Number:
871125-73-4
Molecular Formula:
C9H10BF3O3
Molecular Weight:
233.9801
MDL Number:
MFCD07784388
IUPAC Name:
(2,4,6-trifluoro-3-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H10BF3O3/c1-4(2)16-9-6(12)3-5(11)7(8(9)13)10(14)15/h3-4,14-15H,1-2H3
InChI Key:
ROCZYUISNXPFSX-UHFFFAOYSA-N
SMILES:
CC(Oc1c(F)cc(c(c1F)B(O)O)F)C
Properties
Complexity:
230
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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