Cas no 115168-73-5 (benzyl 2-chloro-4-hydroxybenzoate)
115168-73-5 structure
Product Name:benzyl 2-chloro-4-hydroxybenzoate
CAS No:115168-73-5
MF:C14H11ClO3
MW:262.688343286514
CID:2613507
PubChem ID:19748792
Update Time:2025-04-21
benzyl 2-chloro-4-hydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- benzyl 2-chloro-4-hydroxybenzoate
- DTXSID50599535
- UKQPTEWFNZEMCV-UHFFFAOYSA-N
- Benzoic acid, 2-chloro-4-hydroxy-, phenylmethyl ester
- 115168-73-5
- A1-05332
- SCHEMBL5063395
-
- Inchi： 1S/C14H11ClO3/c15-13-8-11(16)6-7-12(13)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
- InChI Key： UKQPTEWFNZEMCV-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(=O)OCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 262.0396719Da
- Monoisotopic Mass: 262.0396719Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 3.5
- Topological Polar Surface Area: 46.5?2
benzyl 2-chloro-4-hydroxybenzoate Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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