Cas no 92432-84-3 (2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1))
92432-84-3 structure
Product Name:2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1)
CAS No:92432-84-3
MF:C15H11N5O8
MW:389.276542901993
CID:998476
PubChem ID:292502
Update Time:2025-04-20
2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1) Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60303428
- 92432-84-3
- 2,4,6-trinitrophenol- 1-methoxyphthalazine(1:1)
- NSC158310
- NSC-158310
- 2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1)
-
- Inchi： 1S/C9H8N2O.C6H3N3O7/c1-12-9-8-5-3-2-4-7(8)6-10-11-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H,1H3;1-2,10H
- InChI Key： TYQPISJWMQCBCK-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].O(C)C1=C2C=CC=CC2=CN=N1
Computed Properties
- Exact Mass: 389.06076233g/mol
- Monoisotopic Mass: 389.06076233g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 443
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 193?2
2,4,6-Trinitrophenol-1-methoxyphthalazine(1:1) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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