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70803-96-2

70803-96-2 | (1H-Indol-7-yl);(phenyl);methanone

CAS No: 70803-96-2 Catalog No: AG0064CO MDL No:MFCD09033129

Product Description

Catalog Number:
AG0064CO
Chemical Name:
(1H-Indol-7-yl);(phenyl);methanone
CAS Number:
70803-96-2
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD09033129
IUPAC Name:
1H-indol-7-yl(phenyl)methanone
InChI:
InChI=1S/C15H11NO/c17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-10,16H
InChI Key:
FIAMTEUKWUNTSP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1[nH]cc2)c1ccccc1

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Antiinflammatory agents. 1. Synthesis and antiinflammatory activity of 2-amino-3-benzoylphenylacetic acid. Journal of medicinal chemistry 19790901

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