Cas no 3153-31-9 (Butanoic acid,4-chloro-, hexyl ester)
3153-31-9 structure
Product Name:Butanoic acid,4-chloro-, hexyl ester
CAS No:3153-31-9
MF:C10H19ClO2
MW:206.709662675858
CID:311728
PubChem ID:527649
Update Time:2025-04-19
Butanoic acid,4-chloro-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-chloro-, hexyl ester
- hexyl 4-chlorobutanoate
- Butanoic acid, 4-chloro, hexyl ester
- 3153-31-9
- DTXSID60185428
- AI3-33393
- SCHEMBL21811450
- NJJCFVMCDUBLGH-UHFFFAOYSA-N
- Butanoic acid, 4-chloro-, hexyl ester
- n-hexyl 4-chlorobutyrate
-
- Inchi： 1S/C10H19ClO2/c1-2-3-4-5-9-13-10(12)7-6-8-11/h2-9H2,1H3
- InChI Key： NJJCFVMCDUBLGH-UHFFFAOYSA-N
- SMILES： ClCCCC(=O)OCCCCCC
Computed Properties
- Exact Mass: 206.10747
- Monoisotopic Mass: 206.1073575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 126
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Butanoic acid,4-chloro-, hexyl ester Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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