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Home > Aldehydes > 920514-81-4
920514-81-4 | 1H-Indole-3-carboxaldehyde, 6-chloro-2-(4-methoxyphenyl)-5-methyl-
CAS No: 920514-81-4 Catalog No: AG006DOK MDL No:
Product Description
Catalog Number:
AG006DOK
Chemical Name:
1H-Indole-3-carboxaldehyde, 6-chloro-2-(4-methoxyphenyl)-5-methyl-
CAS Number:
920514-81-4
Molecular Formula:
C17H14ClNO2
Molecular Weight:
299.7516
IUPAC Name:
6-chloro-2-(4-methoxyphenyl)-5-methyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C17H14ClNO2/c1-10-7-13-14(9-20)17(19-16(13)8-15(10)18)11-3-5-12(21-2)6-4-11/h3-9,19H,1-2H3
InChI Key:
AVDSCAQNCRWJSS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c2c(c1C=O)cc(c(c2)Cl)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.754g/mol
Monoisotopic Mass:
299.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| CoMFA and docking studies of 2-phenylindole derivatives with anticancer activity. | European journal of medicinal chemistry 20090701 |
| Antimitotic activities of 2-phenylindole-3-carbaldehydes in human breast cancer cells. | Bioorganic & medicinal chemistry 20070801 |
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