Cas no 7244-79-3 (Benzene, 1-(3-methylbutoxy)-4-nitro-)
7244-79-3 structure
Product Name:Benzene, 1-(3-methylbutoxy)-4-nitro-
CAS No:7244-79-3
MF:C11H15NO3
MW:209.241703271866
CID:1759442
PubChem ID:12721166
Update Time:2025-04-21
Benzene, 1-(3-methylbutoxy)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(3-methylbutoxy)-4-nitro-
- DB-102614
- 1-(3-methylbutoxy)-4-nitrobenzene
- 7244-79-3
- 1-[(3-Methylbutyl)oxy]-4-nitrobenzene
- 1-[(3-methylbutyl)oxy]4-nitrobenzene
- SCHEMBL2564281
- AKOS017118460
- 4-Nitrophenol, 3-methylbutyl ether
- DTXSID801299098
-
- Inchi： 1S/C11H15NO3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9H,7-8H2,1-2H3
- InChI Key： RHJHXRFOBKPCNM-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])CCC(C)C
Computed Properties
- Exact Mass: 209.10525
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 3.9
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-(3-methylbutoxy)-4-nitro- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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3. 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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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