Cas no 89876-53-9 (Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester)
89876-53-9 structure
Product Name:Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester
CAS No:89876-53-9
MF:C7H12Cl2O2
MW:199.074980735779
CID:586251
PubChem ID:527717
Update Time:2025-04-19
Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester
- 2-methylpropyl 2,3-dichloropropanoate
- Propanoic acid, 2,3-dichloro, 2-methylropyl ester
- WHVMKUBKNGLRBV-UHFFFAOYSA-N
- SCHEMBL8926650
- Isobutyl 2,3-dichloropropanoate
- DTXSID30335892
- 89876-53-9
-
- Inchi: 1S/C7H12Cl2O2/c1-5(2)4-11-7(10)6(9)3-8/h5-6H,3-4H2,1-2H3
- InChI Key: WHVMKUBKNGLRBV-UHFFFAOYSA-N
- SMILES: ClC(CCl)C(=O)OCC(C)C
Computed Properties
- Exact Mass: 198.0214350g/mol
- 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: 5
- Complexity: 126
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2,3-dichloro-, 2-methylpropyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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