Cas no 90767-87-6 (1,4-Benzenedicarboxylic acid, 2,3-dichloro-, dimethyl ester)
90767-87-6 structure
Product Name:1,4-Benzenedicarboxylic acid, 2,3-dichloro-, dimethyl ester
CAS No:90767-87-6
MF:C10H8Cl2O4
MW:263.07412147522
CID:788427
PubChem ID:19785036
Update Time:2025-04-19
1,4-Benzenedicarboxylic acid, 2,3-dichloro-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2,3-dichloro-, dimethyl ester
- dimethyl 2,3-dichlorobenzene-1,4-dicarboxylate
- 90767-87-6
- DTXSID60599889
- SCHEMBL523584
-
- Inchi： 1S/C10H8Cl2O4/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h3-4H,1-2H3
- InChI Key： PKXVXPPULUTVKW-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=O)OC)C=CC=1C(=O)OC)Cl
Computed Properties
- Exact Mass: 261.9799641g/mol
- Monoisotopic Mass: 261.9799641g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 254
- 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: 2.9
- Topological Polar Surface Area: 52.6?2
1,4-Benzenedicarboxylic acid, 2,3-dichloro-, dimethyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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