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Home > Boronic Acids > 1217500-69-0
1217500-69-0 | Boronic acid, B-[5-hydroxy-2-(trifluoromethoxy)phenyl]-
CAS No: 1217500-69-0 Catalog No: AG0015R3 MDL No:MFCD12913937
Product Description
Catalog Number:
AG0015R3
Chemical Name:
Boronic acid, B-[5-hydroxy-2-(trifluoromethoxy)phenyl]-
CAS Number:
1217500-69-0
Molecular Formula:
C7H6BF3O4
Molecular Weight:
221.9263
MDL Number:
MFCD12913937
IUPAC Name:
[5-hydroxy-2-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O4/c9-7(10,11)15-6-2-1-4(12)3-5(6)8(13)14/h1-3,12-14H
InChI Key:
GRXHOVJTALGZII-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(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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