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Home > Indoles and Oxindole > 1226171-02-3
1226171-02-3 | 1-(4-methylbenzyl)-1H-indol-3-yl cyanide
CAS No: 1226171-02-3 Catalog No: AG00JJJD MDL No:MFCD16324202
Product Description
Catalog Number:
AG00JJJD
Chemical Name:
1-(4-methylbenzyl)-1H-indol-3-yl cyanide
CAS Number:
1226171-02-3
Molecular Formula:
C17H14N2
Molecular Weight:
246.3065
MDL Number:
MFCD16324202
IUPAC Name:
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
InChI:
InChI=1S/C17H14N2/c1-13-6-8-14(9-7-13)11-19-12-15(10-18)16-4-2-3-5-17(16)19/h2-9,12H,11H2,1H3
InChI Key:
NQQUKEPGPUZCBQ-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cccc2)Cc1ccc(cc1)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.313g/mol
Monoisotopic Mass:
246.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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