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Home > Boronic Acids > 1803320-97-9
1803320-97-9 | 3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CAS No: 1803320-97-9 Catalog No: AG00I01A MDL No:MFCD18756755
Product Description
Catalog Number:
AG00I01A
Chemical Name:
3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester
CAS Number:
1803320-97-9
Molecular Formula:
C13H15BClF3O3
Molecular Weight:
322.5156
MDL Number:
MFCD18756755
IUPAC Name:
2-[3-chloro-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)8-5-9(15)7-10(6-8)19-13(16,17)18/h5-7H,1-4H3
InChI Key:
JOHLHDNQZYFLBR-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.515g/mol
Monoisotopic Mass:
322.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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