Cas no 72726-18-2 (Propanoic acid,2,3-dichloro-, butyl ester)
72726-18-2 structure
Product Name:Propanoic acid,2,3-dichloro-, butyl ester
CAS No:72726-18-2
MF:C7H12Cl2O2
MW:199.074980735779
CID:570402
PubChem ID:522466
Update Time:2025-04-19
Propanoic acid,2,3-dichloro-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2,3-dichloro-, butyl ester
- butyl 2,3-dichloropropanoate
- butyl 2,3-dichloropropionate
- RQSDGSZMJSYKBB-UHFFFAOYSA-N
- DTXSID40993543
- SCHEMBL8925081
- EINECS 276-787-1
- NS00062057
- Propanoic acid, 2,3-dichloro-, butyl ester
- 72726-18-2
-
- Inchi： 1S/C7H12Cl2O2/c1-2-3-4-11-7(10)6(9)5-8/h6H,2-5H2,1H3
- InChI Key： RQSDGSZMJSYKBB-UHFFFAOYSA-N
- SMILES： ClC(CCl)C(=O)OCCCC
Computed Properties
- Exact Mass: 198.02156
- Monoisotopic Mass: 198.0214350g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 117
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid,2,3-dichloro-, butyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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