Cas no 749230-40-8 (Benzoic acid,2,5-difluoro-3-hydroxy-)
749230-40-8 structure
Product Name:Benzoic acid,2,5-difluoro-3-hydroxy-
CAS No:749230-40-8
MF:C7H4F2O3
MW:174.101669311523
CID:561419
PubChem ID:12105135
Update Time:2025-04-19
Benzoic acid,2,5-difluoro-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,5-difluoro-3-hydroxy-
- AKOS016038579
- 2,5-Difluoro-3-hydroxybenzoic acid
- 749230-40-8
-
- Inchi： 1S/C7H4F2O3/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2,10H,(H,11,12)
- InChI Key： XJDCFHNMGQTJBU-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=CC=1C(=O)O)F)O
Computed Properties
- Exact Mass: 174.01285031g/mol
- Monoisotopic Mass: 174.01285031g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 1.3
- Topological Polar Surface Area: 57.5?2
Benzoic acid,2,5-difluoro-3-hydroxy- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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