Cas no 1378521-08-4 (4-fluoro-3,5-dihydroxybenzoic acid)
1378521-08-4 structure
Product Name:4-fluoro-3,5-dihydroxybenzoic acid
CAS No:1378521-08-4
MF:C7H5FO4
MW:172.110605955124
CID:1080123
PubChem ID:84819311
Update Time:2025-04-20
4-fluoro-3,5-dihydroxybenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-fluoro-3,5-dihydroxybenzoic acid
- Benzoic acid, 4-fluoro-3,5-dihydroxy-
- 1378521-08-4
-
- Inchi: 1S/C7H5FO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)
- InChI Key: IQKUTUDIIBDICB-UHFFFAOYSA-N
- SMILES: FC1=C(C=C(C(=O)O)C=C1O)O
Computed Properties
- Exact Mass: 172.01718680g/mol
- Monoisotopic Mass: 172.01718680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 1.2
- Topological Polar Surface Area: 77.8?2
4-fluoro-3,5-dihydroxybenzoic acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
1378521-08-4 (4-fluoro-3,5-dihydroxybenzoic acid) Related Products
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