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Home > Boronic Acids > 943918-05-6

943918-05-6

943918-05-6 | (4-Hydroxy-2-(trifluoromethyl)phenyl)boronic acid

CAS No: 943918-05-6 Catalog No: AG003BW0 MDL No:MFCD03095345

Product Description

Catalog Number:
AG003BW0
Chemical Name:
(4-Hydroxy-2-(trifluoromethyl)phenyl)boronic acid
CAS Number:
943918-05-6
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD03095345
IUPAC Name:
[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(12)1-2-6(5)8(13)14/h1-3,12-14H
InChI Key:
MHKOVSRFDDLIFU-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(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:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
205.927g/mol
Monoisotopic Mass:
206.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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