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Home > Boronic Acids > 1186377-08-1
1186377-08-1 | dimethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)terephthalate
CAS No: 1186377-08-1 Catalog No: AG01DJX8 MDL No:MFCD16996402
Product Description
Catalog Number:
AG01DJX8
Chemical Name:
dimethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)terephthalate
CAS Number:
1186377-08-1
Molecular Formula:
C16H21BO6
Molecular Weight:
320.1453
MDL Number:
MFCD16996402
IUPAC Name:
dimethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,4-dicarboxylate
InChI:
InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-9-10(13(18)20-5)7-8-11(12)14(19)21-6/h7-9H,1-6H3
InChI Key:
ZDIIHFUQYYAUAD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C(=O)OC
Properties
Complexity:
459
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
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