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Home > Boronic Acids > 226396-32-3
226396-32-3 | Boronic acid, (2,3,4-trifluorophenyl)-
CAS No: 226396-32-3 Catalog No: AG00I4GJ MDL No:MFCD01863168
Product Description
Catalog Number:
AG00I4GJ
Chemical Name:
Boronic acid, (2,3,4-trifluorophenyl)-
CAS Number:
226396-32-3
Molecular Formula:
C6H4BF3O2
Molecular Weight:
175.9010
MDL Number:
MFCD01863168
IUPAC Name:
(2,3,4-trifluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BF3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
InChI Key:
CLGIPVVEERQWSQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1F)F)F)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.901g/mol
Monoisotopic Mass:
176.026g/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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