Cas no 65566-15-6 (4-Chlor-3,5-dimethoxy-benzoesaeure-methylester)
65566-15-6 structure
Product Name:4-Chlor-3,5-dimethoxy-benzoesaeure-methylester
CAS No:65566-15-6
MF:C10H11ClO4
MW:230.644942522049
CID:2007113
PubChem ID:12398447
Update Time:2025-04-21
4-Chlor-3,5-dimethoxy-benzoesaeure-methylester Chemical and Physical Properties
Names and Identifiers
-
- 4-Chlor-3,5-dimethoxy-benzoesaeure-methylester
- methyl 4-chloro-3,5-dimethoxybenzoate
- DTXSID201222116
- Benzoic acid, 4-chloro-3,5-dimethoxy-, methyl ester
- D87070
- CCG-261044
- 65566-15-6
- 4-Chloro-3,5-dimethoxybenzoic acid methyl ester
-
- Inchi: 1S/C10H11ClO4/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5H,1-3H3
- InChI Key: IKWUWBWADVGEHQ-UHFFFAOYSA-N
- SMILES: ClC1=C(C=C(C(=O)OC)C=C1OC)OC
Computed Properties
- Exact Mass: 230.0345865g/mol
- Monoisotopic Mass: 230.0345865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 208
- 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: 2.3
- Topological Polar Surface Area: 44.8?2
4-Chlor-3,5-dimethoxy-benzoesaeure-methylester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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