Cas no 1245645-05-9 (6-Chloro-5-nitro-1H-indazole-3-carboxylic acid)
1245645-05-9 structure
Product Name:6-Chloro-5-nitro-1H-indazole-3-carboxylic acid
CAS No:1245645-05-9
MF:C8H4ClN3O4
MW:241.588060379028
CID:1082571
PubChem ID:54776314
Update Time:2025-04-20
6-Chloro-5-nitro-1H-indazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 6-Chloro-5-nitro-1H-indazole-3-carboxylic acid
- DB-359487
- 1245645-05-9
-
- Inchi： 1S/C8H4ClN3O4/c9-4-2-5-3(1-6(4)12(15)16)7(8(13)14)11-10-5/h1-2H,(H,10,11)(H,13,14)
- InChI Key： INJMYYBGNOBONV-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2C(C(=O)O)=NNC=2C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 240.9890333g/mol
- Monoisotopic Mass: 240.9890333g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 1.9
- Topological Polar Surface Area: 112?2
6-Chloro-5-nitro-1H-indazole-3-carboxylic acid Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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