Cas no 58457-26-4 (Benzene, 1,3,5-trichloro-2-(2-nitrophenoxy)-)
58457-26-4 structure
Product Name:Benzene, 1,3,5-trichloro-2-(2-nitrophenoxy)-
CAS No:58457-26-4
MF:C12H6Cl3NO3
MW:318.539940357208
CID:342001
PubChem ID:2306205
Update Time:2025-04-19
Benzene, 1,3,5-trichloro-2-(2-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3,5-trichloro-2-(2-nitrophenoxy)-
- 1,3,5-trichloro-2-(2-nitrophenoxy)benzene
- DTXSID90367957
- UPCMLD0ENAT0400-1796:001
- SCHEMBL11307832
- Oprea1_003640
- 58457-26-4
- AKOS034450802
- Z56755772
-
- Inchi： 1S/C12H6Cl3NO3/c13-7-5-8(14)12(9(15)6-7)19-11-4-2-1-3-10(11)16(17)18/h1-6H
- InChI Key： JWWFGBCNGCZSOJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1OC1C=CC=CC=1[N+](=O)[O-])Cl)Cl
Computed Properties
- Exact Mass: 316.94148
- Monoisotopic Mass: 316.941326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 314
- 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: 5.2
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1,3,5-trichloro-2-(2-nitrophenoxy)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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