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Home > Boronic Acids > 882679-40-5
882679-40-5 | Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoate
CAS No: 882679-40-5 Catalog No: AG004AAF MDL No:MFCD11520530
Product Description
Catalog Number:
AG004AAF
Chemical Name:
Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoate
CAS Number:
882679-40-5
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD11520530
IUPAC Name:
methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H21BO4/c1-10-7-8-11(13(17)18-6)9-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
InChI Key:
HAPIXNBOBZHNCA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.139g/mol
Monoisotopic Mass:
276.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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