2-Nitrohlorobenzen 2-Nitrohlorobenzen Identifikacija CAS registarski broj 88-73-3 Y ChemSpider[1] 13853953 Y Jmol-3D slike Slika 1 SMILES [O-][N+](=O)c1ccccc1Cl InChI InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H Y Kod: BFCFYVKQTRLZHA-UHFFFAOYSA-N Y InChI=1/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H Svojstva Molekulska formula C6H4ClNO2 Molarna masa 157.55 g mol−1 Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala Infobox references 2-Nitrohlorobenzen je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 157,554 Da. Osobine Osobina Vrednost Broj akceptora vodonika 2 Broj donora vodonika 0 Broj rotacionih veza 1 Particioni koeficijent[2] (ALogP) 2,4 Rastvorljivost[3] (logS, log(mol/L)) -2,6 Polarna površina[4] (PSA, Å2) 45,8 Reference ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.  ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.  ↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.  Literatura Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.  Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.  Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.  Vanjske veze Portal Hemija 2-Nitrohlorobenzen na Wikimedijinoj ostavi 2-Nitrochlorobenzene

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