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Home > Boronic Acids > 864759-64-8
864759-64-8 | (3,4-Difluoro-5-(trifluoromethyl);phenyl);boronic acid
CAS No: 864759-64-8 Catalog No: AG008G2J MDL No:MFCD08706255
Product Description
Catalog Number:
AG008G2J
Chemical Name:
(3,4-Difluoro-5-(trifluoromethyl);phenyl);boronic acid
CAS Number:
864759-64-8
Molecular Formula:
C7H4BF5O2
Molecular Weight:
225.9085
MDL Number:
MFCD08706255
IUPAC Name:
[3,4-difluoro-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H4BF5O2/c9-5-2-3(8(14)15)1-4(6(5)10)7(11,12)13/h1-2,14-15H
InChI Key:
LPOLDWSSSVLGJH-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1)C(F)(F)F)F)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.909g/mol
Monoisotopic Mass:
226.022g/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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