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159020-59-4

159020-59-4 | Boronic acid, B-[3-fluoro-5-(trifluoromethyl)phenyl]-

CAS No: 159020-59-4 Catalog No: AG001QF3 MDL No:MFCD06657735

Product Description

Catalog Number:
AG001QF3
Chemical Name:
Boronic acid, B-[3-fluoro-5-(trifluoromethyl)phenyl]-
CAS Number:
159020-59-4
Molecular Formula:
C7H5BF4O2
Molecular Weight:
207.9180
MDL Number:
MFCD06657735
IUPAC Name:
[3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
InChI Key:
WEMCWZGCSRGJGW-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(F)(F)F)B(O)O

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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