Cas no 94200-69-8 (Phenol,2-(3-chloro-2,4,6-trinitrophenoxy)-)
94200-69-8 structure
Product Name:Phenol,2-(3-chloro-2,4,6-trinitrophenoxy)-
CAS No:94200-69-8
MF:C12H6ClN3O8
MW:355.644341945648
CID:807710
PubChem ID:3023959
Update Time:2025-04-19
Phenol,2-(3-chloro-2,4,6-trinitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-(3-chloro-2,4,6-trinitrophenoxy)-
- 2-(3-chloro-2,4,6-trinitrophenoxy)phenol
- EINECS 303-548-1
- 34ZZX8BL7D
- UNII-34ZZX8BL7D
- DTXSID90240993
- PHENOL, 2-(3-CHLORO-2,4,6-TRINITROPHENOXY)-
- NS00040238
- 94200-69-8
-
- Inchi： 1S/C12H6ClN3O8/c13-10-6(14(18)19)5-7(15(20)21)12(11(10)16(22)23)24-9-4-2-1-3-8(9)17/h1-5,17H
- InChI Key： HUVGOOBXOSSKNM-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=C1[N+](=O)[O-])OC1C=CC=CC=1O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 354.9843419g/mol
- Monoisotopic Mass: 354.9843419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 504
- 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: 3.2
- Topological Polar Surface Area: 167?2
Phenol,2-(3-chloro-2,4,6-trinitrophenoxy)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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5. 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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