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Home > Boronic Acids > 479411-92-2
479411-92-2 | 2-(3-Bromo-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 479411-92-2 Catalog No: AG006YEH MDL No:
Product Description
Catalog Number:
AG006YEH
Chemical Name:
2-(3-Bromo-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
479411-92-2
Molecular Formula:
C13H15BBrF3O2
Molecular Weight:
350.9672
IUPAC Name:
2-[3-bromo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BBrF3O2/c1-11(2)12(3,4)20-14(19-11)9-5-8(13(16,17)18)6-10(15)7-9/h5-7H,1-4H3
InChI Key:
CNCVCSYYPDHXMW-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(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:
350.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.97g/mol
Monoisotopic Mass:
350.03g/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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