Cas no 88369-83-9 (2H-Indazole, 6-nitro-2-(phenylmethyl)-)
88369-83-9 structure
Product Name:2H-Indazole, 6-nitro-2-(phenylmethyl)-
CAS No:88369-83-9
MF:C14H11N3O2
MW:253.256042718887
CID:635094
PubChem ID:13143695
Update Time:2025-04-19
2H-Indazole, 6-nitro-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Indazole, 6-nitro-2-(phenylmethyl)-
- 2-benzyl-6-nitroindazole
- DTXSID60521509
- 88369-83-9
- AKOS016373433
- 2-Benzyl-6-nitro-2H-indazole
-
- Inchi： 1S/C14H11N3O2/c18-17(19)13-7-6-12-10-16(15-14(12)8-13)9-11-4-2-1-3-5-11/h1-8,10H,9H2
- InChI Key： HXZROARAUBBBFL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=CN(CC3C=CC=CC=3)N=C2C=1)=O
Computed Properties
- Exact Mass: 253.085126602g/mol
- Monoisotopic Mass: 253.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 325
- 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: 3.4
- Topological Polar Surface Area: 63.6?2
2H-Indazole, 6-nitro-2-(phenylmethyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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