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Home > Indoles and Oxindole > 16136-52-0
16136-52-0 | 4-Cyanoindole
CAS No: 16136-52-0 Catalog No: AG001SEV MDL No:MFCD00152045
Product Description
Catalog Number:
AG001SEV
Chemical Name:
4-Cyanoindole
CAS Number:
16136-52-0
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00152045
IUPAC Name:
1H-indole-4-carbonitrile
InChI:
InChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
InChI Key:
CEUFGDDOMXCXFW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cc[nH]2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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