Cas no 88599-35-3 (Benzoic acid, 5-chloro-2-hydroxy-, 2-methylphenyl ester)
88599-35-3 structure
Product Name:Benzoic acid, 5-chloro-2-hydroxy-, 2-methylphenyl ester
CAS No:88599-35-3
MF:C14H11ClO3
MW:262.688343286514
CID:627436
PubChem ID:14223966
Update Time:2025-04-19
Benzoic acid, 5-chloro-2-hydroxy-, 2-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-chloro-2-hydroxy-, 2-methylphenyl ester
- (2-methylphenyl) 5-chloro-2-hydroxybenzoate
- DTXSID80557628
- 2-Methylphenyl 5-chloro-2-hydroxybenzoate
- 88599-35-3
-
- Inchi： 1S/C14H11ClO3/c1-9-4-2-3-5-13(9)18-14(17)11-8-10(15)6-7-12(11)16/h2-8,16H,1H3
- InChI Key： IJALVPVCGQULIP-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C=1)C(=O)OC1C=CC=CC=1C)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: 3
- Complexity: 295
- 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: 4.4
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 5-chloro-2-hydroxy-, 2-methylphenyl ester 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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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