Cas no 63761-17-1 (1H-Pyrrole, 3-(3-nitrophenyl)-)
63761-17-1 structure
Product Name:1H-Pyrrole, 3-(3-nitrophenyl)-
CAS No:63761-17-1
MF:C10H8N2O2
MW:188.182722091675
CID:1657487
Update Time:2024-09-12
1H-Pyrrole, 3-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole, 3-(3-nitrophenyl)-
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- Inchi： 1S/C10H8N2O2/c13-12(14)10-3-1-2-8(6-10)9-4-5-11-7-9/h1-7,11H
- InChI Key： OCZIFAXPQIHQMP-UHFFFAOYSA-N
- SMILES： N1C=CC(C2=CC=CC([N+]([O-])=O)=C2)=C1
Computed Properties
- Exact Mass: 188.05864
Experimental Properties
- Density: 1.298±0.06 g/cm3(Predicted)
- Boiling Point: 391.4±35.0 °C(Predicted)
- PSA: 58.93
- pka: 16.10±0.50(Predicted)
1H-Pyrrole, 3-(3-nitrophenyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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