Cas no 6423-33-2 (1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, diethyl ester)
6423-33-2 structure
Product Name:1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, diethyl ester
CAS No:6423-33-2
MF:C14H12Cl2O6
MW:347.147482872009
CID:1673647
PubChem ID:18942805
Update Time:2025-04-21
1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, diethyl ester
- diethyl 2,5-dicarbonochloridoylbenzene-1,4-dicarboxylate
- DTXSID00596711
- SCHEMBL8639598
- Diethyl 2,5-bis(chlorocarbonyl)benzene-1,4-dicarboxylate
- 6423-33-2
-
- Inchi： 1S/C14H12Cl2O6/c1-3-21-13(19)9-5-8(12(16)18)10(14(20)22-4-2)6-7(9)11(15)17/h5-6H,3-4H2,1-2H3
- InChI Key： QBUAPBWGIOBMFT-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C(=O)OCC)C(C(=O)Cl)=CC=1C(=O)OCC)=O
Computed Properties
- Exact Mass: 346.00116
- Monoisotopic Mass: 346.0010935g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 422
- 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: 3.4
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.74
1,4-Benzenedicarboxylic acid, 2,5-bis(chlorocarbonyl)-, diethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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