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Home > Boronic Acids > 1011459-26-9
1011459-26-9 | 4-Methanesulfonyl-2-methylphenylboronic acid pinacol ester
CAS No: 1011459-26-9 Catalog No: AG00H9FW MDL No:MFCD18732808
Product Description
Catalog Number:
AG00H9FW
Chemical Name:
4-Methanesulfonyl-2-methylphenylboronic acid pinacol ester
CAS Number:
1011459-26-9
Molecular Formula:
C14H21BO4S
Molecular Weight:
296.1901
MDL Number:
MFCD18732808
IUPAC Name:
4,4,5,5-tetramethyl-2-(2-methyl-4-methylsulfonylphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H21BO4S/c1-10-9-11(20(6,16)17)7-8-12(10)15-18-13(2,3)14(4,5)19-15/h7-9H,1-6H3
InChI Key:
NDJPXOFQIJCADG-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)S(=O)(=O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.188g/mol
Monoisotopic Mass:
296.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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