Cas no 139443-62-2 (Phenol, 2-ethyl-4-fluoro-5-nitro-)
139443-62-2 structure
Product Name:Phenol, 2-ethyl-4-fluoro-5-nitro-
CAS No:139443-62-2
MF:C8H8FNO3
MW:185.152425765991
CID:1270196
PubChem ID:19940170
Update Time:2025-04-20
Phenol, 2-ethyl-4-fluoro-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-ethyl-4-fluoro-5-nitro-
- 2-ethyl-4-fluoro-5-nitrophenol
- DB-164355
- 139443-62-2
- SCHEMBL56971
-
- Inchi： 1S/C8H8FNO3/c1-2-5-3-6(9)7(10(12)13)4-8(5)11/h3-4,11H,2H2,1H3
- InChI Key： NOWANUDDJCQIEU-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=C(C=1)CC)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 185.04884
- Monoisotopic Mass: 185.04882128g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 194
- 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: 2.3
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 2-ethyl-4-fluoro-5-nitro- Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
139443-62-2 (Phenol, 2-ethyl-4-fluoro-5-nitro-) Related Products
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