Cas no 15926-91-7 (1,3-Benzenedicarboxylicacid, 4,6-bis[(3,5-dichlorophenyl)amino]-)
![1,3-Benzenedicarboxylicacid, 4,6-bis[(3,5-dichlorophenyl)amino]- structure](https://ossimg.kuujia.com/scimg/16000/15926-91-7x500.png)
15926-91-7 structure
Product Name:1,3-Benzenedicarboxylicacid, 4,6-bis[(3,5-dichlorophenyl)amino]-
CAS No:15926-91-7
MF:C20H12Cl4N2O4
MW:486.132281303406
CID:121278
PubChem ID:45120021
Update Time:2025-04-18
1,3-Benzenedicarboxylicacid, 4,6-bis[(3,5-dichlorophenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 4,6-bis[(3,5-dichlorophenyl)amino]-
- 4,6-bis(3,5-dichloroanilino)benzene-1,3-dicarboxylic acid
- Isophthalic acid, 4,6-bis(3,5-dichloroanilino)- (8CI)
- 15926-91-7
- DTXSID50668932
-
- Inchi： 1S/C20H12Cl4N2O4/c21-9-1-10(22)4-13(3-9)25-17-8-18(16(20(29)30)7-15(17)19(27)28)26-14-5-11(23)2-12(24)6-14/h1-8,25-26H,(H,27,28)(H,29,30)
- InChI Key： LCRHRTTYGYKXJF-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)NC1C(C(=O)O)=CC(C(=O)O)=C(C=1)NC1C=C(C=C(C=1)Cl)Cl)Cl
Computed Properties
- Exact Mass: 483.95536
- Monoisotopic Mass: 483.955
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 558
- 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
- Topological Polar Surface Area: 98.7A^2
- XLogP3: 7.7
Experimental Properties
- PSA: 98.66
1,3-Benzenedicarboxylicacid, 4,6-bis[(3,5-dichlorophenyl)amino]- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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