Cas no 71278-12-1 (Phenol, 5-ethyl-2-methyl-4-nitro-)
71278-12-1 structure
Product Name:Phenol, 5-ethyl-2-methyl-4-nitro-
CAS No:71278-12-1
MF:C9H11NO3
MW:181.188542604446
CID:1749377
PubChem ID:85976969
Update Time:2025-04-21
Phenol, 5-ethyl-2-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 5-ethyl-2-methyl-4-nitro-
- 5-Ethyl-2-methyl-4-nitrophenol
- 86EPS1Q76D
- Phenol, 3-ethyl-6-methyl-4-nitro-
- 71278-12-1
- Phenol, 5-ethyl-2-methyl-4-nitro-(phenol, 3-ethyl-6-methyl-4-nitro-)
- UNII-86EPS1Q76D
-
- Inchi： 1S/C9H11NO3/c1-3-7-5-9(11)6(2)4-8(7)10(12)13/h4-5,11H,3H2,1-2H3
- InChI Key： BNQMWNFKYHCYNZ-UHFFFAOYSA-N
- SMILES： OC1=CC(=C(C=C1C)[N+](=O)[O-])CC
Computed Properties
- Exact Mass: 181.07393
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 2.6
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 5-ethyl-2-methyl-4-nitro- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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4. 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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