Cas no 51206-84-9 (1H-Indole, 3-(4-nitrophenyl)-)
1H-Indole, 3-(4-nitrophenyl)- structure
Product Name:1H-Indole, 3-(4-nitrophenyl)-
CAS No:51206-84-9
MF:C14H10N2O2
MW:238.241403102875
CID:336451
PubChem ID:16127948
Update Time:2025-04-19
1H-Indole, 3-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 3-(4-nitrophenyl)-
- LogP
- 3-(4-nitrophenyl)-1H-indole
- SCHEMBL14406226
- DTXSID70583138
- 51206-84-9
-
- Inchi： 1S/C14H10N2O2/c17-16(18)11-7-5-10(6-8-11)13-9-15-14-4-2-1-3-12(13)14/h1-9,15H
- InChI Key： KWFMXELQSVUTCN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1=CNC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 238.0743
- Monoisotopic Mass: 238.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- Density: 1.33
- Boiling Point: 471.6°C at 760 mmHg
- Flash Point: 239°C
- Refractive Index: 1.706
- PSA: 58.93
1H-Indole, 3-(4-nitrophenyl)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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