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1218789-68-4 | Benzoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1218789-68-4 Catalog No: AG001678 MDL No:MFCD12546599
Product Description
Catalog Number:
AG001678
Chemical Name:
Benzoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1218789-68-4
Molecular Formula:
C20H33BO5Si
Molecular Weight:
392.3695
MDL Number:
MFCD12546599
IUPAC Name:
methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C20H33BO5Si/c1-18(2,3)27(9,10)24-16-12-14(17(22)23-8)11-15(13-16)21-25-19(4,5)20(6,7)26-21/h11-13H,1-10H3
InChI Key:
NURVBOJSHJCZPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.219g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.374g/mol
Monoisotopic Mass:
392.219g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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