Cas no 52536-99-9 (2-(2-chloroethyl)-1,3-dinitrobenzene)
52536-99-9 structure
Product Name:2-(2-chloroethyl)-1,3-dinitrobenzene
CAS No:52536-99-9
MF:C8H7ClN2O4
MW:230.605180978775
CID:1016003
PubChem ID:14081535
Update Time:2025-04-20
2-(2-chloroethyl)-1,3-dinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-chloroethyl)-1,3-dinitrobenzene
- DB-216304
- D87731
- AMY38291
- 52536-99-9
-
- Inchi： 1S/C8H7ClN2O4/c9-5-4-6-7(10(12)13)2-1-3-8(6)11(14)15/h1-3H,4-5H2
- InChI Key： QKWZQCZGYVHHNP-UHFFFAOYSA-N
- SMILES： ClCCC1C(=CC=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 230.0094344g/mol
- Monoisotopic Mass: 230.0094344g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 2.6
- Topological Polar Surface Area: 91.6?2
2-(2-chloroethyl)-1,3-dinitrobenzene Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jason Wan Lab Chip, 2020,20, 4528-4538
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