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1429906-71-7 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CAS No: 1429906-71-7 Catalog No: AG00HWRQ MDL No:MFCD27987788
Product Description
Catalog Number:
AG00HWRQ
Chemical Name:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CAS Number:
1429906-71-7
Molecular Formula:
C20H30BN3O3Si
Molecular Weight:
399.3670
MDL Number:
MFCD27987788
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C20H30BN3O3Si/c1-19(2)20(3,4)27-21(26-19)17-13-24(14-25-8-9-28(5,6)7)18-16(17)10-15(11-22)12-23-18/h10,12-13H,8-9,14H2,1-7H3
InChI Key:
STDWRIGLQPGUTP-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)c(cn2COCC[Si](C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.215g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.373g/mol
Monoisotopic Mass:
399.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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