Cas no 1429042-41-0 (7-bromo-2-methyl-5-nitro-2H-indazole)
1429042-41-0 structure
Product Name:7-bromo-2-methyl-5-nitro-2H-indazole
CAS No:1429042-41-0
MF:C8H6BrN3O2
MW:256.056140422821
CID:5612577
PubChem ID:90308679
Update Time:2023-09-04
7-bromo-2-methyl-5-nitro-2H-indazole Chemical and Physical Properties
Names and Identifiers
-
- 7-bromo-2-methyl-5-nitro-2H-indazole
- BCOREYVPJBKKJC-UHFFFAOYSA-N
- SCHEMBL15910493
- 1429042-41-0
-
- Inchi： 1S/C8H6BrN3O2/c1-11-4-5-2-6(12(13)14)3-7(9)8(5)10-11/h2-4H,1H3
- InChI Key： BCOREYVPJBKKJC-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC2=CN(C)N=C21)[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
7-bromo-2-methyl-5-nitro-2H-indazole Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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