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Home > Boronic Acids > 1689509-92-9
1689509-92-9 | 2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
CAS No: 1689509-92-9 Catalog No: AG00HZ9F MDL No:MFCD18729901
Product Description
Catalog Number:
AG00HZ9F
Chemical Name:
2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
CAS Number:
1689509-92-9
Molecular Formula:
C14H18BF3O2
Molecular Weight:
286.0977
MDL Number:
MFCD18729901
IUPAC Name:
4,4,5,5-tetramethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O2/c1-9-8-10(14(16,17)18)6-7-11(9)15-19-12(2,3)13(4,5)20-15/h6-8H,1-5H3
InChI Key:
OAKIXAMUBBQIPD-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.101g/mol
Monoisotopic Mass:
286.135g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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