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Home > Boronic Acids > 928053-97-8

928053-97-8

928053-97-8 | 5-Fluoro-2-trifluoromethyl-phenylboronic acid

CAS No: 928053-97-8 Catalog No: AG00GS6J MDL No:MFCD06656275

Product Description

Catalog Number:
AG00GS6J
Chemical Name:
5-Fluoro-2-trifluoromethyl-phenylboronic acid
CAS Number:
928053-97-8
Molecular Formula:
C7H5BF4O2
Molecular Weight:
207.9180
MDL Number:
MFCD06656275
IUPAC Name:
[5-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BF4O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
InChI Key:
LBDUHXAQWUKBEB-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)C(F)(F)F

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.919g/mol
Monoisotopic Mass:
208.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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