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Home > Boronic Acids > 957120-22-8

957120-22-8

957120-22-8 | (3-Hydroxy-5-(trifluoromethoxy)phenyl)boronic acid

CAS No: 957120-22-8 Catalog No: AG005YDD MDL No:MFCD09475898

Product Description

Catalog Number:
AG005YDD
Chemical Name:
(3-Hydroxy-5-(trifluoromethoxy)phenyl)boronic acid
CAS Number:
957120-22-8
Molecular Formula:
C7H6BF3O4
Molecular Weight:
221.9263
MDL Number:
MFCD09475898
IUPAC Name:
[3-hydroxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O4/c9-7(10,11)15-6-2-4(8(13)14)1-5(12)3-6/h1-3,12-14H
InChI Key:
WYDLDYUQPJRETJ-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)B(O)O)OC(F)(F)F

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.926g/mol
Monoisotopic Mass:
222.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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