Cas no 1801267-07-1 (S-217622)
S-217622 structure
Product Name:S-217622
CAS No:1801267-07-1
MF:C8H6BrN3O2
MW:256.056140422821
CID:6777496
PubChem ID:118226474
Update Time:2024-03-25
S-217622 Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL16898914
- 1801267-07-1
- 6-Bromo-2-methyl-5-nitro-2H-indazole
- S-217622
-
- Inchi： 1S/C8H6BrN3O2/c1-11-4-5-2-8(12(13)14)6(9)3-7(5)10-11/h2-4H,1H3
- InChI Key： JWRCCSJFPDBQLB-UHFFFAOYSA-N
- SMILES： BrC1C(=CC2=CN(C)N=C2C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 254.96434g/mol
- Monoisotopic Mass: 254.96434g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 245
- 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: 2.1
- Topological Polar Surface Area: 63.6?2
S-217622 Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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