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Home > Indoles and Oxindole > 4993-87-7
4993-87-7 | 5-nitro-2-phenyl-1H-indole
CAS No: 4993-87-7 Catalog No: AG006X3G MDL No:
Product Description
Catalog Number:
AG006X3G
Chemical Name:
5-nitro-2-phenyl-1H-indole
CAS Number:
4993-87-7
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
5-nitro-2-phenyl-1H-indole
InChI:
InChI=1S/C14H10N2O2/c17-16(18)12-6-7-13-11(8-12)9-14(15-13)10-4-2-1-3-5-10/h1-9,15H
InChI Key:
UNJRQDPTLDVHOR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc([nH]2)c1ccccc1
NSC Number:
131894
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| A mass spectrometric investigation of novel quadruplex DNA-selective berberine derivatives. | Chemical communications (Cambridge, England) 20100921 |
| Antibacterial activity of berberine-NorA pump inhibitor hybrids with a methylene ether linking group. | Bioorganic & medicinal chemistry 20090601 |
| Structure-activity relationships of 2-aryl-1H-indole inhibitors of the NorA efflux pump in Staphylococcus aureus. | Bioorganic & medicinal chemistry letters 20080801 |
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