Cas no 114610-24-1 (3-Cinnolinecarboxylic acid, 6,7-difluoro-4-hydroxy-, ethyl ester)
114610-24-1 structure
Product Name:3-Cinnolinecarboxylic acid, 6,7-difluoro-4-hydroxy-, ethyl ester
CAS No:114610-24-1
MF:C11H8F2N2O3
MW:254.189629554749
CID:1202202
Update Time:2024-08-04
3-Cinnolinecarboxylic acid, 6,7-difluoro-4-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Cinnolinecarboxylic acid, 6,7-difluoro-4-hydroxy-, ethyl ester
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- Inchi： 1S/C11H8F2N2O3/c1-2-18-11(17)9-10(16)5-3-6(12)7(13)4-8(5)14-15-9/h3-4H,2H2,1H3,(H,14,16)
- InChI Key： VMOOFCNAXOEPSN-UHFFFAOYSA-N
- SMILES： N1=C2C(C=C(F)C(F)=C2)=C(O)C(C(OCC)=O)=N1
Computed Properties
- Exact Mass: 254.05034
Experimental Properties
- Density: 1.484±0.06 g/cm3(Predicted)
- Melting Point: 270-272.5 °C
- Boiling Point: 385.7±52.0 °C(Predicted)
- PSA: 72.31
- pka: 0.48±0.50(Predicted)
3-Cinnolinecarboxylic acid, 6,7-difluoro-4-hydroxy-, ethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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