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Home > Indoles and Oxindole > 17380-29-9
17380-29-9 | 3-ethyl-1H-indole-5-carbonitrile
CAS No: 17380-29-9 Catalog No: AG01BIBZ MDL No:MFCD28665484
Product Description
Catalog Number:
AG01BIBZ
Chemical Name:
3-ethyl-1H-indole-5-carbonitrile
CAS Number:
17380-29-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD28665484
IUPAC Name:
3-ethyl-1H-indole-5-carbonitrile
InChI:
InChI=1S/C11H10N2/c1-2-9-7-13-11-4-3-8(6-12)5-10(9)11/h3-5,7,13H,2H2,1H3
InChI Key:
GPBWQFSYEUAHPS-UHFFFAOYSA-N
SMILES:
CCc1c[nH]c2c1cc(C#N)cc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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