Cas no 111888-47-2 (1-(2-nitrophenyl)isoquinoline)
1-(2-nitrophenyl)isoquinoline structure
Product Name:1-(2-nitrophenyl)isoquinoline
CAS No:111888-47-2
MF:C15H10N2O2
MW:250.252103328705
CID:2607538
PubChem ID:13803246
Update Time:2025-04-21
1-(2-nitrophenyl)isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-nitrophenyl)isoquinoline
- DTXSID70549951
- 1-(2-nitrophenyl) isoquinoline
- 111888-47-2
- DTXCID80500735
-
- Inchi： 1S/C15H10N2O2/c18-17(19)14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15/h1-10H
- InChI Key： LEDNZQKMGFTYHB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=CC=1C1C2C=CC=CC=2C=CN=1)=O
Computed Properties
- Exact Mass: 250.074227566Da
- Monoisotopic Mass: 250.074227566Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 329
- 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: 3.6
- Topological Polar Surface Area: 58.7?2
1-(2-nitrophenyl)isoquinoline Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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