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Home > Indoles and Oxindole > 15861-23-1
15861-23-1 | 1H-Indole-5-carbonitrile, 2,3-dihydro-
CAS No: 15861-23-1 Catalog No: AG001QCK MDL No:MFCD07371626
Product Description
Catalog Number:
AG001QCK
Chemical Name:
1H-Indole-5-carbonitrile, 2,3-dihydro-
CAS Number:
15861-23-1
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD07371626
IUPAC Name:
2,3-dihydro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,11H,3-4H2
InChI Key:
KBNWGVBBEPQFIZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCN2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Efficient singlet-state deactivation of cyano-substituted indolines in protic solvents via CN--HO hydrogen bonds. | Chemphyschem : a European journal of chemical physics and physical chemistry 20071221 |
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