Cas no 27315-00-0 (1,2,4-Benzotriazin-3-amine,7-chloro-, 1,4-dioxide)
27315-00-0 structure
Product Name:1,2,4-Benzotriazin-3-amine,7-chloro-, 1,4-dioxide
CAS No:27315-00-0
MF:C7H5ClN4O2
MW:212.593199491501
CID:251013
PubChem ID:135455642
Update Time:2025-04-19
1,2,4-Benzotriazin-3-amine,7-chloro-, 1,4-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzotriazin-3-amine,7-chloro-, 1,4-dioxide
- 7-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine
- 1,2,4-Benzotriazine,3-amino-7-chloro-, 1,4-dioxide (6CI,8CI)
- 3-Amino-7-chloro-1,2,4-benzotriazine1,4-dioxide
- NSC 621114
- SCHEMBL2775458
- NSC621114
- 7-Chloro-1,4-benzotriazin-3-amine 1,4-dioxide
- 7-Chloro-3-imino-1-oxo-1lambda~5~,2,4-benzotriazin-4(3H)-ol
- CHEMBL50512
- 27315-00-0
- NSC-621114
- DTXSID20326895
-
- Inchi： 1S/C7H5ClN4O2/c8-4-1-2-5-6(3-4)12(14)10-7(9)11(5)13/h1-3H,(H2,9,10)
- InChI Key： VRAJXLCAHLGTJT-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(C=1)=[N+](N=C(N)[N+]=2[O-])[O-]
Computed Properties
- Exact Mass: 212.01025
- Monoisotopic Mass: 212.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 295
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.6
- Topological Polar Surface Area: 89.8?2
Experimental Properties
- PSA: 92.79
1,2,4-Benzotriazin-3-amine,7-chloro-, 1,4-dioxide Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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