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Home > Boronic Acids > 1256359-19-9
1256359-19-9 | 1H-Indole-4-carbonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256359-19-9 Catalog No: AG000O7D MDL No:MFCD11858395
Product Description
Catalog Number:
AG000O7D
Chemical Name:
1H-Indole-4-carbonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256359-19-9
Molecular Formula:
C15H17BN2O2
Molecular Weight:
268.1187
MDL Number:
MFCD11858395
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile
InChI:
InChI=1S/C15H17BN2O2/c1-14(2)15(3,4)20-16(19-14)13-8-11-10(9-17)6-5-7-12(11)18-13/h5-8,18H,1-4H3
InChI Key:
NQJHPYXWEQOLBO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cc([nH]2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.123g/mol
Monoisotopic Mass:
268.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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