Cas no 67122-11-6 (2-Naphthalenecarbonitrile, 1-methoxy-4-nitro-)
67122-11-6 structure
Product Name:2-Naphthalenecarbonitrile, 1-methoxy-4-nitro-
CAS No:67122-11-6
MF:C12H8N2O3
MW:228.20352268219
CID:395331
PubChem ID:12405679
Update Time:2025-04-19
2-Naphthalenecarbonitrile, 1-methoxy-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarbonitrile, 1-methoxy-4-nitro-
- 1-methoxy-4-nitronaphthalene-2-carbonitrile
- DTXSID00496727
- 67122-11-6
-
- Inchi： 1S/C12H8N2O3/c1-17-12-8(7-13)6-11(14(15)16)9-4-2-3-5-10(9)12/h2-6H,1H3
- InChI Key： OPKYRMVPJNLDRT-UHFFFAOYSA-N
- SMILES： O(C)C1C(C#N)=CC(=C2C=CC=CC2=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 228.05354
- Monoisotopic Mass: 228.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 343
- 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: 2.7
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 76.16
2-Naphthalenecarbonitrile, 1-methoxy-4-nitro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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