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Home > Boronic Acids > 873066-23-0

873066-23-0

873066-23-0 | Boronic acid, [4-(trifluoromethyl)phenyl]-, dimethyl ester

CAS No: 873066-23-0 Catalog No: AG004LI3 MDL No:

Product Description

Catalog Number:
AG004LI3
Chemical Name:
Boronic acid, [4-(trifluoromethyl)phenyl]-, dimethyl ester
CAS Number:
873066-23-0
Molecular Formula:
C9H10BF3O2
Molecular Weight:
217.9807
IUPAC Name:
dimethoxy-[4-(trifluoromethyl)phenyl]borane
InChI:
InChI=1S/C9H10BF3O2/c1-14-10(15-2)8-5-3-7(4-6-8)9(11,12)13/h3-6H,1-2H3
InChI Key:
FXAFJCWFFVNRLQ-UHFFFAOYSA-N
SMILES:
COB(c1ccc(cc1)C(F)(F)F)OC

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.982g/mol
Monoisotopic Mass:
218.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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