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Home > Boronic Acids > 1333313-17-9
1333313-17-9 | Boronic acid, B-[2-(1-methylethoxy)-5-(trifluoromethoxy)phenyl]-
CAS No: 1333313-17-9 Catalog No: AG0014ND MDL No:
Product Description
Catalog Number:
AG0014ND
Chemical Name:
Boronic acid, B-[2-(1-methylethoxy)-5-(trifluoromethoxy)phenyl]-
CAS Number:
1333313-17-9
Molecular Formula:
C10H12BF3O4
Molecular Weight:
264.0061
IUPAC Name:
[2-propan-2-yloxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O4/c1-6(2)17-9-4-3-7(18-10(12,13)14)5-8(9)11(15)16/h3-6,15-16H,1-2H3
InChI Key:
PJWXIRIEFGTCOH-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1B(O)O)OC(F)(F)F)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.007g/mol
Monoisotopic Mass:
264.078g/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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