Cas no 20404-02-8 (Phenol,2,3,6-trichloro-4-nitro-)
20404-02-8 structure
Product Name:Phenol,2,3,6-trichloro-4-nitro-
CAS No:20404-02-8
MF:C6H2Cl3NO3
MW:242.443978786469
CID:275384
PubChem ID:30144
Update Time:2025-04-19
Phenol,2,3,6-trichloro-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,3,6-trichloro-4-nitro-
- 2,3,6-trichloro-4-nitrophenol
- 2,3,6-Trichlor-4-nitro-phenol
- 2,3,6-trichloro-4-nitro-phenol
- AC1L1IW9
- AG-E-49553
- CTK4E4131
- NSC141443
- 20404-02-8
- NSC-141443
- DTXSID70878854
- Phenol, 2,3,6-trichloro-4-nitro-
- NSC 141443
- SCHEMBL9226136
-
- Inchi： 1S/C6H2Cl3NO3/c7-2-1-3(10(12)13)4(8)5(9)6(2)11/h1,11H
- InChI Key： UAXQXSVCGHEVMI-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=CC=1[N+](=O)[O-])Cl)O)Cl
Computed Properties
- Exact Mass: 240.91016
- Monoisotopic Mass: 240.910026g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 210
- 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: 3.9
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
- LogP: 3.78380
Phenol,2,3,6-trichloro-4-nitro- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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