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Home > Boronic Acids > 171364-83-3
171364-83-3 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-
CAS No: 171364-83-3 Catalog No: AG00HZJE MDL No:MFCD02179437
Product Description
Catalog Number:
AG00HZJE
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-
CAS Number:
171364-83-3
Molecular Formula:
C12H16BNO4
Molecular Weight:
249.0707
MDL Number:
MFCD02179437
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)14(15)16/h5-8H,1-4H3
InChI Key:
LUWACRUAJXZANC-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
316
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
Literature
| Title | Journal |
|---|---|
| A novel pyrimidine derivatives with aryl urea, thiourea and sulfonamide moieties: synthesis, anti-inflammatory and antimicrobial evaluation. | Bioorganic & medicinal chemistry letters 20120515 |
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