Cas no 1383706-08-8 (1H-Indazole, 5-bromo-3-ethynyl-)
1383706-08-8 structure
Product Name:1H-Indazole, 5-bromo-3-ethynyl-
CAS No:1383706-08-8
MF:C9H5BrN2
MW:221.053400754929
CID:2124803
Update Time:2023-08-04
1H-Indazole, 5-bromo-3-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-3-ethynyl-1H-indazole
- 1H-Indazole, 5-bromo-3-ethynyl-
-
- Inchi： 1S/C9H5BrN2/c1-2-8-7-5-6(10)3-4-9(7)12-11-8/h1,3-5H,(H,11,12)
- InChI Key： XFTYANKEHRFPNP-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(C=1)=C(C#C)NN=2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 220
- Topological Polar Surface Area: 28.7
1H-Indazole, 5-bromo-3-ethynyl- Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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