Cas no 874297-10-6 (1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester)
874297-10-6 structure
Product Name:1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester
CAS No:874297-10-6
MF:C12H12IN3O4
MW:389.145854949951
CID:1895868
PubChem ID:76846183
Update Time:2025-04-21
1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester
- 874297-10-6
- TERT-BUTYL 3-IODO-7-NITROINDAZOLE-1-CARBOXYLATE
- 1h-indazole-1-carboxylic acid,3-iodo-7-nitro-,1,1-dimethylethyl ester
-
- MDL： MFCD11976298
- Inchi： 1S/C12H12IN3O4/c1-12(2,3)20-11(17)15-9-7(10(13)14-15)5-4-6-8(9)16(18)19/h4-6H,1-3H3
- InChI Key： QDOOYZYTDMKDAO-UHFFFAOYSA-N
- SMILES： IC1C2C=CC=C(C=2N(C(=O)OC(C)(C)C)N=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 388.987
- Monoisotopic Mass: 388.987
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 407
- 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: 89.9A^2
- XLogP3: 3.4
1H-Indazole-1-carboxylic acid, 3-iodo-7-nitro-, 1,1-dimethylethyl ester 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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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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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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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