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Home > Boronic Acids > 1256359-11-1

1256359-11-1

1256359-11-1 | 1H-Indole-5-carbonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1256359-11-1 Catalog No: AG000O65 MDL No:MFCD11858359

Product Description

Catalog Number:
AG000O65
Chemical Name:
1H-Indole-5-carbonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256359-11-1
Molecular Formula:
C15H17BN2O2
Molecular Weight:
268.1187
MDL Number:
MFCD11858359
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-5-carbonitrile
InChI:
InChI=1S/C15H17BN2O2/c1-14(2)15(3,4)20-16(19-14)13-8-11-7-10(9-17)5-6-12(11)18-13/h5-8,18H,1-4H3
InChI Key:
UXFJREVSLLNDQR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc([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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