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Home > Boronic Acids > 1022922-16-2
1022922-16-2 | Boronic acid, B-[2-chloro-5-(trifluoromethoxy)phenyl]-
CAS No: 1022922-16-2 Catalog No: AG00074U MDL No:MFCD06656267
Product Description
Catalog Number:
AG00074U
Chemical Name:
Boronic acid, B-[2-chloro-5-(trifluoromethoxy)phenyl]-
CAS Number:
1022922-16-2
Molecular Formula:
C7H5BClF3O3
Molecular Weight:
240.3720
MDL Number:
MFCD06656267
IUPAC Name:
[2-chloro-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BClF3O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key:
BAEHYECKXGVYKR-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1Cl)OC(F)(F)F)O
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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