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Home > Boronic Acids > 1165935-85-2
1165935-85-2 | 1,3,2-Dioxaborolane, 2-[4-chloro-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-
CAS No: 1165935-85-2 Catalog No: AG000CU1 MDL No:MFCD16996250
Product Description
Catalog Number:
AG000CU1
Chemical Name:
1,3,2-Dioxaborolane, 2-[4-chloro-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1165935-85-2
Molecular Formula:
C13H15BClF3O2
Molecular Weight:
306.5162
MDL Number:
MFCD16996250
IUPAC Name:
2-[4-chloro-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BClF3O2/c1-11(2)12(3,4)20-14(19-11)10-6-5-8(15)7-9(10)13(16,17)18/h5-7H,1-4H3
InChI Key:
LXNGZRBNPCAJOD-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.516g/mol
Monoisotopic Mass:
306.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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