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Home > Boronic Acids > 1052647-30-9
1052647-30-9 | methyl 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No: 1052647-30-9 Catalog No: AG0092SH MDL No:MFCD22493885
Product Description
Catalog Number:
AG0092SH
Chemical Name:
methyl 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
1052647-30-9
Molecular Formula:
C16H23BO4
Molecular Weight:
290.1624
MDL Number:
MFCD22493885
IUPAC Name:
methyl 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H23BO4/c1-10-8-11(2)13(9-12(10)14(18)19-7)17-20-15(3,4)16(5,6)21-17/h8-9H,1-7H3
InChI Key:
JCIFOSNTFDNPIG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(B2OC(C(O2)(C)C)(C)C)c(cc1C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.166g/mol
Monoisotopic Mass:
290.169g/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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