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Home > Boronic Acids > 870822-78-9
870822-78-9 | (5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid
CAS No: 870822-78-9 Catalog No: AG004LL2 MDL No:MFCD10697424
Product Description
Catalog Number:
AG004LL2
Chemical Name:
(5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid
CAS Number:
870822-78-9
Molecular Formula:
C7H5BClF3O3
Molecular Weight:
240.3720
MDL Number:
MFCD10697424
IUPAC Name:
[5-chloro-2-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BClF3O3/c9-4-1-2-6(15-7(10,11)12)5(3-4)8(13)14/h1-3,13-14H
InChI Key:
UCZWBMQPOWTYNS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)B(O)O)OC(F)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.369g/mol
Monoisotopic Mass:
239.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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