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Home > Boronic Acids > 919119-73-6
919119-73-6 | 1H-Indole-4-carbonitrile,2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 919119-73-6 Catalog No: AG006KNG MDL No:
Product Description
Catalog Number:
AG006KNG
Chemical Name:
1H-Indole-4-carbonitrile,2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
919119-73-6
Molecular Formula:
C21H28B2N2O4
Molecular Weight:
394.0800
IUPAC Name:
2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile
InChI:
InChI=1S/C21H28B2N2O4/c1-18(2)19(3,4)27-22(26-18)15-10-9-13(12-24)14-11-16(25-17(14)15)23-28-20(5,6)21(7,8)29-23/h9-11,25H,1-8H3
InChI Key:
HXIZCDYGRWHSRM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cc([nH]2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.224g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.085g/mol
Monoisotopic Mass:
394.224g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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