Cas no 681001-72-9 (1H-Indazole-3-carboxylic acid, 4,6-dinitro-1-phenyl-)
681001-72-9 structure
Product Name:1H-Indazole-3-carboxylic acid, 4,6-dinitro-1-phenyl-
CAS No:681001-72-9
MF:C14H8N4O6
MW:328.236522674561
CID:1729459
Update Time:2024-11-27
1H-Indazole-3-carboxylic acid, 4,6-dinitro-1-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Indazole-3-carboxylic acid, 4,6-dinitro-1-phenyl-
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- Inchi： 1S/C14H8N4O6/c19-14(20)13-12-10(16(15-13)8-4-2-1-3-5-8)6-9(17(21)22)7-11(12)18(23)24/h1-7H,(H,19,20)
- InChI Key： XINYYIUTCYRCRG-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC=C2)C2=C(C([N+]([O-])=O)=CC([N+]([O-])=O)=C2)C(C(O)=O)=N1
Computed Properties
- Exact Mass: 328.04444
Experimental Properties
- Density: 1.69±0.1 g/cm3(Predicted)
- Melting Point: 216-219 °C
- Boiling Point: 520.0±50.0 °C(Predicted)
- PSA: 141.4
- pka: 0.07±0.10(Predicted)
1H-Indazole-3-carboxylic acid, 4,6-dinitro-1-phenyl- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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