Cas no 773874-64-9 (Benzoic acid,3-fluoro-4-hydroxy-5-methoxy-, methyl ester)
773874-64-9 structure
Product Name:Benzoic acid,3-fluoro-4-hydroxy-5-methoxy-, methyl ester
CAS No:773874-64-9
MF:C9H9FO4
MW:200.163766622543
CID:552290
PubChem ID:45091626
Update Time:2025-04-19
Benzoic acid,3-fluoro-4-hydroxy-5-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-fluoro-4-hydroxy-5-methoxy-, methyl ester
- Benzoic acid, 3-fluoro-4-hydroxy-5-methoxy-, methyl ester (9CI)
- SY318169
- MFCD06203935
- SCHEMBL17894021
- 773874-64-9
- methyl 3-fluoro-4-hydroxy-5-methoxybenzoate
-
- Inchi： 1S/C9H9FO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3
- InChI Key： NBXDBARZOUWCNS-UHFFFAOYSA-N
- SMILES： FC1=CC(C(=O)OC)=CC(=C1O)OC
Computed Properties
- Exact Mass: 200.048
- Monoisotopic Mass: 200.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 209
- 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
- Topological Polar Surface Area: 55.8A^2
- XLogP3: 1.5
Benzoic acid,3-fluoro-4-hydroxy-5-methoxy-, methyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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