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Home > Boronic Acids > 68716-48-3
68716-48-3 | 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
CAS No: 68716-48-3 Catalog No: AG005OLB MDL No:MFCD05663879
Product Description
Catalog Number:
AG005OLB
Chemical Name:
4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
CAS Number:
68716-48-3
Molecular Formula:
C12H16BNO4
Molecular Weight:
249.0707
MDL Number:
MFCD05663879
IUPAC Name:
4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3
InChI Key:
JWEAFTZTLIGAQU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.073g/mol
Monoisotopic Mass:
249.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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