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Home > Boronic Acids > 913835-35-5
913835-35-5 | (5-(Trifluoromethyl)-1,3-phenylene)diboronic acid
CAS No: 913835-35-5 Catalog No: AG006NKP MDL No:MFCD08235085
Product Description
Catalog Number:
AG006NKP
Chemical Name:
(5-(Trifluoromethyl)-1,3-phenylene)diboronic acid
CAS Number:
913835-35-5
Molecular Formula:
C7H7B2F3O4
Molecular Weight:
233.7453
MDL Number:
MFCD08235085
IUPAC Name:
[3-borono-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H7B2F3O4/c10-7(11,12)4-1-5(8(13)14)3-6(2-4)9(15)16/h1-3,13-16H
InChI Key:
LLTMRPLEYJEOIJ-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(F)(F)F)B(O)O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
233.744g/mol
Monoisotopic Mass:
234.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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