Cas no 1786-86-3 (2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide)
1786-86-3 structure
Product Name:2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide
CAS No:1786-86-3
MF:C8H4Cl4N2O2
MW:301.941557884216
CID:1367123
PubChem ID:15703
Update Time:2025-04-20
2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide
- NS00067212
- DTXSID60170516
- 1,3-DICARBAMOYL-2,4,5,6-TETRACHLOROBENZENE
- 1786-86-3
- 1,3-Benzenedicarboxamide, 2,4,5,6-tetrachloro-
-
- Inchi： 1S/C8H4Cl4N2O2/c9-3-1(7(13)15)4(10)6(12)5(11)2(3)8(14)16/h(H2,13,15)(H2,14,16)
- InChI Key： QYJBVOVPBGZPCZ-UHFFFAOYSA-N
- SMILES： ClC1C(C(N)=O)=C(C(=C(C=1C(N)=O)Cl)Cl)Cl
Computed Properties
- Exact Mass: 299.90292
- Monoisotopic Mass: 299.902688g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 286
- 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: 2.4
- Topological Polar Surface Area: 86.2?2
Experimental Properties
- PSA: 86.18
2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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