Cas no 919779-66-1 (Phenol, 2,2'-[(4,6-dinitro-1,3-phenylene)diimino]bis-)
![Phenol, 2,2'-[(4,6-dinitro-1,3-phenylene)diimino]bis- structure](https://ossimg.kuujia.com/scimg/920000/919779-66-1x500.png)
919779-66-1 structure
Product Name:Phenol, 2,2'-[(4,6-dinitro-1,3-phenylene)diimino]bis-
CAS No:919779-66-1
MF:C18H14N4O6
MW:382.32696390152
CID:761336
PubChem ID:71424839
Update Time:2025-04-19
Phenol, 2,2'-[(4,6-dinitro-1,3-phenylene)diimino]bis- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,2'-[(4,6-dinitro-1,3-phenylene)diimino]bis-
- 2-[5-(2-hydroxyanilino)-2,4-dinitroanilino]phenol
- 919779-66-1
- DTXSID30843629
- 2,2'-[(4,6-Dinitro-1,3-phenylene)diazanediyl]diphenol
-
- Inchi： 1S/C18H14N4O6/c23-17-7-3-1-5-11(17)19-13-9-14(20-12-6-2-4-8-18(12)24)16(22(27)28)10-15(13)21(25)26/h1-10,19-20,23-24H
- InChI Key： KFLBXRITNCZFEK-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1NC1C(=CC(=C(C=1)NC1C=CC=CC=1O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 382.09133418g/mol
- Monoisotopic Mass: 382.09133418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 507
- 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: 5.1
- Topological Polar Surface Area: 156?2
Phenol, 2,2'-[(4,6-dinitro-1,3-phenylene)diimino]bis- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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