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Home > Boronic Acids > 1073353-97-5
1073353-97-5 | 2-(5-Chloro-2-methyl-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1073353-97-5 Catalog No: AG003MND MDL No:MFCD11053829
Product Description
Catalog Number:
AG003MND
Chemical Name:
2-(5-Chloro-2-methyl-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1073353-97-5
Molecular Formula:
C14H17BClF3O2
Molecular Weight:
320.5428
MDL Number:
MFCD11053829
IUPAC Name:
2-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BClF3O2/c1-8-6-9(14(17,18)19)11(16)7-10(8)15-20-12(2,3)13(4,5)21-15/h6-7H,1-5H3
InChI Key:
IGAWSWOTIHQGHP-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1B1OC(C(O1)(C)C)(C)C)Cl)C(F)(F)F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.543g/mol
Monoisotopic Mass:
320.096g/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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