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Home > Boronic Acids > 1204745-88-9
1204745-88-9 | 3,4-Bis(trifluoromethyl)phenylboronic acid
CAS No: 1204745-88-9 Catalog No: AG007PXU MDL No:MFCD11617946
Product Description
Catalog Number:
AG007PXU
Chemical Name:
3,4-Bis(trifluoromethyl)phenylboronic acid
CAS Number:
1204745-88-9
Molecular Formula:
C8H5BF6O2
Molecular Weight:
257.9255
MDL Number:
MFCD11617946
IUPAC Name:
[3,4-bis(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF6O2/c10-7(11,12)5-2-1-4(9(16)17)3-6(5)8(13,14)15/h1-3,16-17H
InChI Key:
GIZQTQOXIWPFOA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(F)(F)F)C(F)(F)F)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.926g/mol
Monoisotopic Mass:
258.029g/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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