Cas no 94200-68-7 (Phenol,3-(3-chloro-2,4,6-trinitrophenoxy)-)
94200-68-7 structure
Product Name:Phenol,3-(3-chloro-2,4,6-trinitrophenoxy)-
CAS No:94200-68-7
MF:C12H6ClN3O8
MW:355.644341945648
CID:819633
PubChem ID:3023958
Update Time:2025-04-19
Phenol,3-(3-chloro-2,4,6-trinitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-(3-chloro-2,4,6-trinitrophenoxy)-
- 3-(3-chloro-2,4,6-trinitrophenoxy)phenol
- DTXSID30240992
- EINECS 303-547-6
- NS00040237
- UNII-J6KSC6JCQ4
- J6KSC6JCQ4
- 94200-68-7
- PHENOL, 3-(3-CHLORO-2,4,6-TRINITROPHENOXY)-
-
- Inchi： 1S/C12H6ClN3O8/c13-10-8(14(18)19)5-9(15(20)21)12(11(10)16(22)23)24-7-3-1-2-6(17)4-7/h1-5,17H
- InChI Key： APCPHDKQTSPRBK-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=C1[N+](=O)[O-])OC1C=CC=C(C=1)O)[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,3-(3-chloro-2,4,6-trinitrophenoxy)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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