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Home > Boronic Acids > 1254118-48-3
1254118-48-3 | 3-(1,1,1-Trifluoro-2-methylpropan-2-yloxy)-4-(trifluoromethyl)phenylboronic acid
CAS No: 1254118-48-3 Catalog No: AG00HI7B MDL No:
Product Description
Catalog Number:
AG00HI7B
Chemical Name:
3-(1,1,1-Trifluoro-2-methylpropan-2-yloxy)-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1254118-48-3
IUPAC Name:
[4-(trifluoromethyl)-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]boronic acid
InChI:
InChI=1S/C11H11BF6O3/c1-9(2,11(16,17)18)21-8-5-6(12(19)20)3-4-7(8)10(13,14)15/h3-5,19-20H,1-2H3
InChI Key:
BHLXUOYZNXAVCT-UHFFFAOYSA-N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.006g/mol
Monoisotopic Mass:
316.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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