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Home > Boronic Acids > 596819-13-5
596819-13-5 | 5-TRIFLUOROMETHYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER
CAS No: 596819-13-5 Catalog No: AG00ECPP MDL No:MFCD09952064
Product Description
Catalog Number:
AG00ECPP
Chemical Name:
5-TRIFLUOROMETHYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER
CAS Number:
596819-13-5
Molecular Formula:
C11H14BF3O2S
Molecular Weight:
278.0989
MDL Number:
MFCD09952064
IUPAC Name:
4,4,5,5-tetramethyl-2-[5-(trifluoromethyl)thiophen-2-yl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C11H14BF3O2S/c1-9(2)10(3,4)17-12(16-9)8-6-5-7(18-8)11(13,14)15/h5-6H,1-4H3
InChI Key:
KYIFZLIFGFCQPM-UHFFFAOYSA-N
SMILES:
FC(c1ccc(s1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.096g/mol
Monoisotopic Mass:
278.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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