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Home > Boronic Acids > 1333407-12-7
1333407-12-7 | 3-fluoro-4-((2,2,2-trifluoroethoxy)Methyl)phenylboronic acid
CAS No: 1333407-12-7 Catalog No: AG009YI4 MDL No:MFCD16198485
Product Description
Catalog Number:
AG009YI4
Chemical Name:
3-fluoro-4-((2,2,2-trifluoroethoxy)Methyl)phenylboronic acid
CAS Number:
1333407-12-7
MDL Number:
MFCD16198485
IUPAC Name:
[3-fluoro-4-(2,2,2-trifluoroethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BF4O3/c11-8-3-7(10(15)16)2-1-6(8)4-17-5-9(12,13)14/h1-3,15-16H,4-5H2
InChI Key:
SMRDWNVJXJGGKQ-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.972g/mol
Monoisotopic Mass:
252.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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