Cas no 885518-72-9 (4-iodo-2h-indazole-3-carbaldehyde)
885518-72-9 structure
Product Name:4-iodo-2h-indazole-3-carbaldehyde
CAS No:885518-72-9
MF:C8H5IN2O
MW:272.042573690414
CID:1928092
PubChem ID:24728223
Update Time:2025-04-21
4-iodo-2h-indazole-3-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-iodo-2h-indazole-3-carbaldehyde
- 4-Iodo-3-(1H)indazole carboxaldehyde
- DTXSID00646280
- 4-IODO-1H-INDAZOLE-3-CARBALDEHYDE
- DB-077902
- 885518-72-9
- 4-Iodo-3-(1H)indazolecarboxaldehyde
-
- Inchi： 1S/C8H5IN2O/c9-5-2-1-3-6-8(5)7(4-12)11-10-6/h1-4H,(H,10,11)
- InChI Key： OHCJDBALOCEDJX-UHFFFAOYSA-N
- SMILES： IC1=CC=CC2C1=C(C=O)NN=2
Computed Properties
- Exact Mass: 271.94466Da
- Monoisotopic Mass: 271.94466Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 2
- Topological Polar Surface Area: 45.8?2
4-iodo-2h-indazole-3-carbaldehyde Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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