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Home > Boronic Acids > 1072951-50-8

1072951-50-8

1072951-50-8 | (2-Hydroxy-4-(trifluoromethyl)phenyl)boronic acid

CAS No: 1072951-50-8 Catalog No: AG008521 MDL No:MFCD03094996

Product Description

Catalog Number:
AG008521
Chemical Name:
(2-Hydroxy-4-(trifluoromethyl)phenyl)boronic acid
CAS Number:
1072951-50-8
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD03094996
IUPAC Name:
[2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-7(10,11)4-1-2-5(8(13)14)6(12)3-4/h1-3,12-14H
InChI Key:
GYGNUMOLFBSVCL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1O)C(F)(F)F)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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