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Home > Boronic Acids > 1309980-29-7
1309980-29-7 | 2-Methyl-4-trifluoroMethoxyphenylboronic acid, pinacol ester
CAS No: 1309980-29-7 Catalog No: AG009WV7 MDL No:MFCD11867879
Product Description
Catalog Number:
AG009WV7
Chemical Name:
2-Methyl-4-trifluoroMethoxyphenylboronic acid, pinacol ester
CAS Number:
1309980-29-7
Molecular Formula:
C14H18BF3O3
Molecular Weight:
302.0971
MDL Number:
MFCD11867879
IUPAC Name:
4,4,5,5-tetramethyl-2-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O3/c1-9-8-10(19-14(16,17)18)6-7-11(9)15-20-12(2,3)13(4,5)21-15/h6-8H,1-5H3
InChI Key:
QLTJUMXQHFQRIV-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.1g/mol
Monoisotopic Mass:
302.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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