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Home > Boronic Acids > 955979-23-4
955979-23-4 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carbonitrile
CAS No: 955979-23-4 Catalog No: AG00IJ7X MDL No:MFCD22543965
Product Description
Catalog Number:
AG00IJ7X
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carbonitrile
CAS Number:
955979-23-4
Molecular Formula:
C15H17BN2O2
Molecular Weight:
268.1187
MDL Number:
MFCD22543965
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carbonitrile
InChI:
InChI=1S/C15H17BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-10(9-17)8-13-11(12)5-6-18-13/h5-8,18H,1-4H3
InChI Key:
GZHUWMIKULBEKV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)[nH]cc2
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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