Cas no 426226-77-9 (Benzaldehyde, 2,3-difluoro-4,5-dihydroxy-)
426226-77-9 structure
Product Name:Benzaldehyde, 2,3-difluoro-4,5-dihydroxy-
CAS No:426226-77-9
MF:C7H4F2O3
MW:174.101669311523
CID:928322
PubChem ID:45120078
Update Time:2025-04-19
Benzaldehyde, 2,3-difluoro-4,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2,3-difluoro-4,5-dihydroxy-
- 2,3-difluoro-4,5-dihydroxybenzaldehyde
- 426226-77-9
- DTXSID20668944
-
- Inchi： 1S/C7H4F2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1-2,11-12H
- InChI Key： BPRFVTSMTWMAEZ-UHFFFAOYSA-N
- SMILES： FC1=C(C(=C(C=C1C=O)O)O)F
Computed Properties
- Exact Mass: 174.013
- Monoisotopic Mass: 174.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 57.5A^2
- XLogP3: 0.9
Benzaldehyde, 2,3-difluoro-4,5-dihydroxy- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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