Cas no 71607-98-2 (Phenol, 4-ethyl-3-nitro-)
Phenol, 4-ethyl-3-nitro- structure
Product Name:Phenol, 4-ethyl-3-nitro-
CAS No:71607-98-2
MF:C8H9NO3
MW:167.161962270737
CID:1751043
PubChem ID:67814431
Update Time:2025-04-21
Phenol, 4-ethyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-ethyl-3-nitro-
- K9K6UX2FKB
- 4-Ethyl-3-nitrophenol
- SCHEMBL9281293
- 71607-98-2
- 4-Ethyl-3-nitro-phenol
- DB-087822
- UNII-K9K6UX2FKB
-
- Inchi： 1S/C8H9NO3/c1-2-6-3-4-7(10)5-8(6)9(11)12/h3-5,10H,2H2,1H3
- InChI Key： HFNOQSYXXDKYMM-UHFFFAOYSA-N
- SMILES： OC1C=CC(=C(C=1)[N+](=O)[O-])CC
Computed Properties
- Exact Mass: 167.05827
- Monoisotopic Mass: 167.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 166
- 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: 2.2
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 4-ethyl-3-nitro- Related Literature
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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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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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