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Home > Boronic Acids > 1310405-00-5
1310405-00-5 | Boronic acid, B-[2-ethoxy-5-(trifluoromethoxy)phenyl]-
CAS No: 1310405-00-5 Catalog No: AG000VFZ MDL No:
Product Description
Catalog Number:
AG000VFZ
Chemical Name:
Boronic acid, B-[2-ethoxy-5-(trifluoromethoxy)phenyl]-
CAS Number:
1310405-00-5
Molecular Formula:
C9H10BF3O4
Molecular Weight:
249.9795
IUPAC Name:
[2-ethoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H10BF3O4/c1-2-16-8-4-3-6(17-9(11,12)13)5-7(8)10(14)15/h3-5,14-15H,2H2,1H3
InChI Key:
LJCPBULSRUMRRJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1B(O)O)OC(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:
250.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.98g/mol
Monoisotopic Mass:
250.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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