Cas no 28162-03-0 (Benzoic acid, 4-(trifluoromethyl)-, 4-hydroxyphenyl ester)
28162-03-0 structure
Product Name:Benzoic acid, 4-(trifluoromethyl)-, 4-hydroxyphenyl ester
CAS No:28162-03-0
MF:C14H9F3O3
MW:282.214674711227
CID:1433826
PubChem ID:85774255
Update Time:2025-04-20
Benzoic acid, 4-(trifluoromethyl)-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(trifluoromethyl)-, 4-hydroxyphenyl ester
- DTXSID401197391
- SCHEMBL14640734
- 28162-03-0
-
- Inchi： 1S/C14H9F3O3/c15-14(16,17)10-3-1-9(2-4-10)13(19)20-12-7-5-11(18)6-8-12/h1-8,18H
- InChI Key： MPARZOGPOYIHIW-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(=O)OC2C=CC(=CC=2)O)=CC=1)(F)F
Computed Properties
- Exact Mass: 282.05037
- Monoisotopic Mass: 282.05037863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 327
- 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: 4.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 4-(trifluoromethyl)-, 4-hydroxyphenyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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