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Home > Boronic Acids > 944392-68-1
944392-68-1 | Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
CAS No: 944392-68-1 Catalog No: AG00II62 MDL No:MFCD11858596
Product Description
Catalog Number:
AG00II62
Chemical Name:
Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
CAS Number:
944392-68-1
Molecular Formula:
C16H21BO6
Molecular Weight:
320.1453
MDL Number:
MFCD11858596
IUPAC Name:
dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
InChI:
InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3
InChI Key:
IGSNWXAGFXHYOG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C(=O)OC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.148g/mol
Monoisotopic Mass:
320.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 1,3-Dimethyl 5-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20120201 |
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