Cas no 61887-18-1 (Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-chlorophenyl ester)
61887-18-1 structure
Product Name:Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-chlorophenyl ester
CAS No:61887-18-1
MF:C16H14Cl2O3
MW:325.186563014984
CID:463797
PubChem ID:71391444
Update Time:2025-04-19
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-chlorophenyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-chlorophenyl ester
- (2-chlorophenyl) 2-(4-chlorophenoxy)-2-methylpropanoate
- 61887-18-1
- 2-Chlorophenyl 2-(4-chlorophenoxy)-2-methylpropanoate
- DTXSID50813304
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- Inchi： 1S/C16H14Cl2O3/c1-16(2,21-12-9-7-11(17)8-10-12)15(19)20-14-6-4-3-5-13(14)18/h3-10H,1-2H3
- InChI Key： GLCJCKBPZDXLJR-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1OC(C(C)(C)OC1C=CC(=CC=1)Cl)=O
Computed Properties
- Exact Mass: 324.03212
- Monoisotopic Mass: 324.0319997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 351
- 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: 5.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-chlorophenyl ester Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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