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Home > Boronic Acids > 149989-77-5
149989-77-5 | Benzoic acid, 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-, methyl ester
CAS No: 149989-77-5 Catalog No: AG001M6F MDL No:MFCD18383378
Product Description
Catalog Number:
AG001M6F
Chemical Name:
Benzoic acid, 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-, methyl ester
CAS Number:
149989-77-5
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD18383378
IUPAC Name:
methyl 2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate
InChI:
InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)10-11-8-6-7-9-12(11)13(17)18-5/h6-9H,10H2,1-5H3
InChI Key:
QBUWQLOBSLQVSH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
351
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:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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