Cas no 50672-59-8 (Benzene, 1-ethyl-4-(4-nitrophenoxy)-)
50672-59-8 structure
Product Name:Benzene, 1-ethyl-4-(4-nitrophenoxy)-
CAS No:50672-59-8
MF:C14H13NO3
MW:243.257923841476
CID:364351
PubChem ID:12337942
Update Time:2025-04-19
Benzene, 1-ethyl-4-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-ethyl-4-(4-nitrophenoxy)-
- 1-ethyl-4-(4-nitrophenoxy)benzene
- 50672-59-8
- DTXSID80491598
- SCHEMBL4416673
-
- Inchi： 1S/C14H13NO3/c1-2-11-3-7-13(8-4-11)18-14-9-5-12(6-10-14)15(16)17/h3-10H,2H2,1H3
- InChI Key： RLBDKFLVEFTRLX-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 243.08959
- Monoisotopic Mass: 243.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 261
- 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: 4.6
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-ethyl-4-(4-nitrophenoxy)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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