Cas no 864714-68-1 (4-chloro-3-(5-formyl-furan-2-yl)-benzoic acid methyl ester)
864714-68-1 structure
Product Name:4-chloro-3-(5-formyl-furan-2-yl)-benzoic acid methyl ester
CAS No:864714-68-1
MF:C13H9ClO4
MW:264.66116309166
CID:870196
PubChem ID:883150
Update Time:2025-04-19
4-chloro-3-(5-formyl-furan-2-yl)-benzoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-3-(5-formyl-furan-2-yl)-benzoic acid methyl ester
- AKOS027391130
- CHEMBRDG-BB 6479663
- Methyl 4-chloro-3-(5-formyl-2-furyl)benzoate
- methyl 4-chloro-3-(5-formylfuran-2-yl)benzoate
- SR-01000235565
- SR-01000235565-1
- 864714-68-1
-
- MDL： MFCD04208537
- Inchi： 1S/C13H9ClO4/c1-17-13(16)8-2-4-11(14)10(6-8)12-5-3-9(7-15)18-12/h2-7H,1H3
- InChI Key： PXCXLYGKHYWMDJ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=O)OC)C=C1C1=CC=C(C=O)O1
Computed Properties
- Exact Mass: 264.01900
- Monoisotopic Mass: 264.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 320
- 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: 56.5?2
Experimental Properties
- PSA: 56.51000
- LogP: 3.19910
4-chloro-3-(5-formyl-furan-2-yl)-benzoic acid methyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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