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Home > Boronic Acids > 139301-27-2
139301-27-2 | Boronic acid, B-[4-(trifluoromethoxy)phenyl]-
CAS No: 139301-27-2 Catalog No: AG001AP9 MDL No:MFCD01074648
Product Description
Catalog Number:
AG001AP9
Chemical Name:
Boronic acid, B-[4-(trifluoromethoxy)phenyl]-
CAS Number:
139301-27-2
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD01074648
IUPAC Name:
[4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H
InChI Key:
HUOFUOCSQCYFPW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC(F)(F)F)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.927g/mol
Monoisotopic Mass:
206.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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