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Home > Indoles and Oxindole > 89159-60-4
89159-60-4 | 1H-Indole-2-methanol, 1-methyl-5-nitro-3-phenyl-
CAS No: 89159-60-4 Catalog No: AG003WOK MDL No:MFCD00593702
Product Description
Catalog Number:
AG003WOK
Chemical Name:
1H-Indole-2-methanol, 1-methyl-5-nitro-3-phenyl-
CAS Number:
89159-60-4
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD00593702
IUPAC Name:
(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
InChI:
InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChI Key:
GNJUKVGDCUKDLF-UHFFFAOYSA-N
SMILES:
OCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists: Discovery and SAR of ML354. | Bioorganic & medicinal chemistry letters 20141001 |
| Screening for novel antituberculosis agents that are effective against multidrug resistant tuberculosis. | Current topics in medicinal chemistry 20070101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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