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Home > Boronic Acids > 886536-37-4
886536-37-4 | (4-(2,2,2-Trifluoroethoxy);phenyl);boronic acid
CAS No: 886536-37-4 Catalog No: AG003JYI MDL No:MFCD09027239
Product Description
Catalog Number:
AG003JYI
Chemical Name:
(4-(2,2,2-Trifluoroethoxy);phenyl);boronic acid
CAS Number:
886536-37-4
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD09027239
IUPAC Name:
[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14/h1-4,13-14H,5H2
InChI Key:
DWRAMTYYMNLVBD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCC(F)(F)F)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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