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Home > Boronic Acids > 1256345-87-5
1256345-87-5 | Boronic acid, B-[3-ethoxy-5-(trifluoromethoxy)phenyl]-
CAS No: 1256345-87-5 Catalog No: AG000O0S MDL No:MFCD16295059
Product Description
Catalog Number:
AG000O0S
Chemical Name:
Boronic acid, B-[3-ethoxy-5-(trifluoromethoxy)phenyl]-
CAS Number:
1256345-87-5
Molecular Formula:
C9H10BF3O4
Molecular Weight:
249.9795
MDL Number:
MFCD16295059
IUPAC Name:
[3-ethoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H10BF3O4/c1-2-16-7-3-6(10(14)15)4-8(5-7)17-9(11,12)13/h3-5,14-15H,2H2,1H3
InChI Key:
CIBQUPSDYSPZER-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1)B(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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