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Home > Boronic Acids > 1147351-76-5
1147351-76-5 | BENZOIC ACID, 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, +
CAS No: 1147351-76-5 Catalog No: AG01C0PM MDL No:MFCD16996353
Product Description
Catalog Number:
AG01C0PM
Chemical Name:
BENZOIC ACID, 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, +
CAS Number:
1147351-76-5
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD16996353
IUPAC Name:
methyl 4-methyl-2-(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)12(9-10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
InChI Key:
ZMCQKGITUXUKOL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1B1OC(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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