Cas no 57356-27-1 (Benzene, 1-chloro-5-methoxy-2,4-dinitro-)
57356-27-1 structure
Product Name:Benzene, 1-chloro-5-methoxy-2,4-dinitro-
CAS No:57356-27-1
MF:C7H5ClN2O5
MW:232.57800078392
CID:345643
PubChem ID:12890333
Update Time:2025-04-19
Benzene, 1-chloro-5-methoxy-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-5-methoxy-2,4-dinitro-
- 1-chloro-5-methoxy-2,4-dinitrobenzene
- 57356-27-1
- SCHEMBL8536622
- DTXSID60512396
-
- Inchi： 1S/C7H5ClN2O5/c1-15-7-2-4(8)5(9(11)12)3-6(7)10(13)14/h2-3H,1H3
- InChI Key： VEEIJKKBWGGVTJ-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 231.98875
- Monoisotopic Mass: 231.9886990g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 263
- 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: 101?2
Experimental Properties
- PSA: 95.51
Benzene, 1-chloro-5-methoxy-2,4-dinitro- Related Literature
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1. 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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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