Cas no 4467-92-9 (Phenol,2,4-dinitro-6-octyl-)
Phenol,2,4-dinitro-6-octyl- structure
Product Name:Phenol,2,4-dinitro-6-octyl-
CAS No:4467-92-9
MF:C14H20N2O5
MW:296.319004058838
CID:333561
PubChem ID:3014283
Update Time:2025-04-19
Phenol,2,4-dinitro-6-octyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,4-dinitro-6-octyl-
- 2,4-dinitro-6-octylphenol
- 4467-92-9
- SCHEMBL1857493
- DTXSID30196268
- Phenol, 2,4-dinitro-6-octyl-
-
- Inchi: 1S/C14H20N2O5/c1-2-3-4-5-6-7-8-11-9-12(15(18)19)10-13(14(11)17)16(20)21/h9-10,17H,2-8H2,1H3
- InChI Key: XQJDAXOHZWCJFD-UHFFFAOYSA-N
- SMILES: OC1C(=CC(=CC=1CCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 296.1373
- Monoisotopic Mass: 296.13722174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 339
- 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: 5.9
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 106.51
Phenol,2,4-dinitro-6-octyl- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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