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Home > Boronic Acids > 1332648-74-4
1332648-74-4 | (5-fluoro-2-((2,2,2-trifluoroethoxy)methyl)phenyl)boronic acid
CAS No: 1332648-74-4 Catalog No: AG01DUCP MDL No:
Product Description
Catalog Number:
AG01DUCP
Chemical Name:
(5-fluoro-2-((2,2,2-trifluoroethoxy)methyl)phenyl)boronic acid
CAS Number:
1332648-74-4
Molecular Formula:
C9H9BF4O3
Molecular Weight:
251.9706
IUPAC Name:
[5-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BF4O3/c11-7-2-1-6(8(3-7)10(15)16)4-17-5-9(12,13)14/h1-3,15-16H,4-5H2
InChI Key:
BJWGTAZDHFABBR-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)COCC(F)(F)F
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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