Cas no 89435-47-2 (Benzoic acid, 3-chloro-4-hydroxy-, 2,4-dichlorophenyl ester)
89435-47-2 structure
Product Name:Benzoic acid, 3-chloro-4-hydroxy-, 2,4-dichlorophenyl ester
CAS No:89435-47-2
MF:C13H7Cl3O3
MW:317.551881074905
CID:600910
PubChem ID:71324189
Update Time:2025-04-19
Benzoic acid, 3-chloro-4-hydroxy-, 2,4-dichlorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-chloro-4-hydroxy-, 2,4-dichlorophenyl ester
- (2,4-dichlorophenyl) 3-chloro-4-hydroxybenzoate
- 89435-47-2
- DTXSID00753685
- 2,4-Dichlorophenyl 3-chloro-4-hydroxybenzoate
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- Inchi： 1S/C13H7Cl3O3/c14-8-2-4-12(10(16)6-8)19-13(18)7-1-3-11(17)9(15)5-7/h1-6,17H
- InChI Key： LHFNJUODASODAO-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(C(=O)OC2C=CC(=CC=2Cl)Cl)=C1)O
Computed Properties
- Exact Mass: 315.946077g/mol
- Monoisotopic Mass: 315.946077g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 326
- 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: 5
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 3-chloro-4-hydroxy-, 2,4-dichlorophenyl ester Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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