Cas no 180267-23-6 (Methyl,cyano(4-nitrophenyl)- (9CI))
180267-23-6 structure
Product Name:Methyl,cyano(4-nitrophenyl)- (9CI)
CAS No:180267-23-6
MF:C8H5N2O2
MW:161.137501478195
CID:113402
Update Time:2024-01-24
Methyl,cyano(4-nitrophenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Methyl,cyano(4-nitrophenyl)- (9CI)
- Methyl, cyano(4-nitrophenyl)- (9CI)
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- Inchi： 1S/C8H5N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-5H
- InChI Key： RKTLPOJWOJEYPS-UHFFFAOYSA-N
- SMILES： [CH](C#N)C1=CC=C([N+]([O-])=O)C=C1 |^1:0|
Computed Properties
- Exact Mass: 161.035
- Monoisotopic Mass: 161.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 1.4
- Topological Polar Surface Area: 69.6A^2
Methyl,cyano(4-nitrophenyl)- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
180267-23-6 (Methyl,cyano(4-nitrophenyl)- (9CI)) Related Products
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