Cas no 6280-48-4 (Benzoic acid,2-chloro-, 4-methylphenyl ester)
6280-48-4 structure
Product Name:Benzoic acid,2-chloro-, 4-methylphenyl ester
CAS No:6280-48-4
MF:C14H11ClO2
MW:246.688943147659
CID:525309
PubChem ID:223475
Update Time:2025-04-19
Benzoic acid,2-chloro-, 4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-chloro-, 4-methylphenyl ester
- (4-methylphenyl) 2-chlorobenzoate
- 2-Chlor-benzoesaeure-p-tolylester
- 2-chloro-benzoic acid p-tolyl ester
- 2-Chlorobenzoic acid, 4-tolyl ester
- 4-methylphenyl 2-chlorobenzoate
- 4-methylphenyl ester
- AC1L5CL6
- AC1Q615E
- CTK5B6125
- NSC11156
- SureCN9563122
-
- Inchi: 1S/C14H11ClO2/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
- InChI Key: XLJNELFCIDKGTK-UHFFFAOYSA-N
- SMILES: ClC1C=CC=CC=1C(=O)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 246.04483
- Monoisotopic Mass: 246.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 259
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid,2-chloro-, 4-methylphenyl ester Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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