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Home > Boronic Acids > 888721-03-7
888721-03-7 | Boronic acid,[4-chloro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-
CAS No: 888721-03-7 Catalog No: AG00IFI1 MDL No:
Product Description
Catalog Number:
AG00IFI1
Chemical Name:
Boronic acid,[4-chloro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-
CAS Number:
888721-03-7
Molecular Formula:
C13H20BClN2O3Si
Molecular Weight:
326.6590
IUPAC Name:
[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid
InChI:
InChI=1S/C13H20BClN2O3Si/c1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17/h4-5,8,18-19H,6-7,9H2,1-3H3
InChI Key:
ASPZZZQISULCMI-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1COCC[Si](C)(C)C)nccc2Cl)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.659g/mol
Monoisotopic Mass:
326.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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