Cas no 85392-26-3 (Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester)
85392-26-3 structure
Product Name:Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester
CAS No:85392-26-3
MF:C14H11ClO3
MW:262.688343286514
CID:729322
PubChem ID:2402551
Update Time:2025-04-19
Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester
- (3-chlorophenyl)methyl 4-hydroxybenzoate
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- Inchi： 1S/C14H11ClO3/c15-12-3-1-2-10(8-12)9-18-14(17)11-4-6-13(16)7-5-11/h1-8,16H,9H2
- InChI Key： XHTLNOREYRWMPY-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)COC(C1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 262.0396719g/mol
- Monoisotopic Mass: 262.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 274
- 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
Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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