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28755-03-5 | Ethanone, 2-chloro-1-(1H-indol-3-yl)-
CAS No: 28755-03-5 Catalog No: AG002WD3 MDL No:MFCD00464796
Product Description
Catalog Number:
AG002WD3
Chemical Name:
Ethanone, 2-chloro-1-(1H-indol-3-yl)-
CAS Number:
28755-03-5
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD00464796
IUPAC Name:
2-chloro-1-(1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChI Key:
LLZQFAXTCYDVTR-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| (3-Chloroacetyl)-indole, a novel allosteric AKT inhibitor, suppresses colon cancer growth in vitro and in vivo. | Cancer prevention research (Philadelphia, Pa.) 20111101 |
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