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Home > Boronic Acids > 1620056-82-7
1620056-82-7 | [3-(2,2,2-trifluoroethyl)phenyl]boronic acid
CAS No: 1620056-82-7 Catalog No: AG01FIRL MDL No:
Product Description
Catalog Number:
AG01FIRL
Chemical Name:
[3-(2,2,2-trifluoroethyl)phenyl]boronic acid
CAS Number:
1620056-82-7
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
IUPAC Name:
[3-(2,2,2-trifluoroethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2/c10-8(11,12)5-6-2-1-3-7(4-6)9(13)14/h1-4,13-14H,5H2
InChI Key:
FAPWKTBQRHIKJJ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CC(F)(F)F)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.955g/mol
Monoisotopic Mass:
204.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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