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Home > Indoles and Oxindole > 21859-82-5
21859-82-5 | 1H-Indole, 1-benzoyl-5-methoxy-
CAS No: 21859-82-5 Catalog No: AG006Z16 MDL No:
Product Description
Catalog Number:
AG006Z16
Chemical Name:
1H-Indole, 1-benzoyl-5-methoxy-
CAS Number:
21859-82-5
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
(5-methoxyindol-1-yl)-phenylmethanone
InChI:
InChI=1S/C16H13NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-11H,1H3
InChI Key:
GQERXICLDNNQLW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccn2C(=O)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Concise synthesis and structure-activity relationships of combretastatin A-4 analogues, 1-aroylindoles and 3-aroylindoles, as novel classes of potent antitubulin agents. | Journal of medicinal chemistry 20040812 |
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