Cas no 121139-99-9 (1,2,4-Benzotriazin-3-amine,6(or 7)-chloro-, 1,4-dioxide (9CI))
121139-99-9 structure
Product Name:1,2,4-Benzotriazin-3-amine,6(or 7)-chloro-, 1,4-dioxide (9CI)
CAS No:121139-99-9
MF:C7H5ClN4O2
MW:212.593199491501
CID:143142
PubChem ID:135455586
Update Time:2025-04-19
1,2,4-Benzotriazin-3-amine,6(or 7)-chloro-, 1,4-dioxide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzotriazin-3-amine,6(or 7)-chloro-, 1,4-dioxide (9CI)
- 6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine
- NCI60_005345
- SR 4308
- 1,2,4-Benzotriazin-3-amine, 6(or 7)-chloro-, 1,4-dioxide
- NSC-617851
- CHEMBL299182
- 121139-99-9
- 6(or 7)-Chloro-1,2,4-benzotriazin-3-amine 1,4-dioxide
- NSC617851
-
- Inchi： 1S/C7H5ClN4O2/c8-4-1-2-5-6(3-4)11(13)7(9)10-12(5)14/h1-3H,(H2,9,10)
- InChI Key： FJUGBXQAYWGSSI-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(C=1)=[N+](C(N)=N[N+]=2[O-])[O-]
Computed Properties
- Exact Mass: 212.0101031g/mol
- Monoisotopic Mass: 212.0101031g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 0.4
- Topological Polar Surface Area: 89.8?2
1,2,4-Benzotriazin-3-amine,6(or 7)-chloro-, 1,4-dioxide (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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