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Home Boronic acids [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid

[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid

CAS No.:
1444260-43-8
Catalog Number:
AG01DTPW
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
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Product Description
Catalog Number:
AG01DTPW
Chemical Name:
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid
CAS Number:
1444260-43-8
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD08059520
IUPAC Name:
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-6(2)17-9-4-3-7(11(15)16)5-8(9)10(12,13)14/h3-6,15-16H,1-2H3
InChI Key:
BJUWYZGRAZSRQW-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1C(F)(F)F)B(O)O)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.008g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties