Cas no 56266-82-1 (1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(4-methylphenoxy)-)
56266-82-1 structure
Product Name:1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(4-methylphenoxy)-
CAS No:56266-82-1
MF:C15H7Cl3N2O
MW:337.587880373001
CID:349380
PubChem ID:19352080
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(4-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(4-methylphenoxy)-
- 3,4,6-trichloro-5-(4-methylphenoxy)benzene-1,2-dicarbonitrile
- 56266-82-1
- DTXSID70598282
- SCHEMBL7869244
-
- Inchi： 1S/C15H7Cl3N2O/c1-8-2-4-9(5-3-8)21-15-13(17)11(7-20)10(6-19)12(16)14(15)18/h2-5H,1H3
- InChI Key： VHSYWKUAFFZELX-UHFFFAOYSA-N
- SMILES： ClC1C(C#N)=C(C#N)C(=C(C=1OC1C=CC(C)=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 335.96261
- Monoisotopic Mass: 335.962396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 460
- 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: 5.1
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
1,2-Benzenedicarbonitrile, 3,4,6-trichloro-5-(4-methylphenoxy)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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