Cas no 909853-92-5 (Benzoic acid, 4-chloro-3-ethoxy-, ethyl ester)
909853-92-5 structure
Product Name:Benzoic acid, 4-chloro-3-ethoxy-, ethyl ester
CAS No:909853-92-5
MF:C11H13ClO3
MW:228.672122716904
CID:1956946
PubChem ID:53341836
Update Time:2025-04-21
Benzoic acid, 4-chloro-3-ethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-chloro-3-ethoxy-, ethyl ester
- DB-117916
- 909853-92-5
- BBPYXTOAVRAKFZ-UHFFFAOYSA-N
- 4chloro-3-ethoxy-benzoic acid ethyl ester
- 4-chloro-3-ethoxy-benzoic acid ethyl ester
- 4-chloro-3-ethoxybenzoic acid ethyl ester
- SCHEMBL1748566
- ethyl 4-chloro-3-ethoxybenzoate
-
- Inchi： 1S/C11H13ClO3/c1-3-14-10-7-8(5-6-9(10)12)11(13)15-4-2/h5-7H,3-4H2,1-2H3
- InChI Key： BBPYXTOAVRAKFZ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(=O)OCC)=CC=1OCC
Computed Properties
- Exact Mass: 228.0553220Da
- Monoisotopic Mass: 228.0553220Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 208
- 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: 3.1
- Topological Polar Surface Area: 35.5?2
Benzoic acid, 4-chloro-3-ethoxy-, ethyl ester Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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