Cas no 827322-46-3 (Phenol, 4-nitro-, compd. with 2-pyridinamine (2:1))
827322-46-3 structure
Product Name:Phenol, 4-nitro-, compd. with 2-pyridinamine (2:1)
CAS No:827322-46-3
MF:C17H16N4O6
MW:372.332143783569
CID:684753
PubChem ID:71417530
Update Time:2025-04-19
Phenol, 4-nitro-, compd. with 2-pyridinamine (2:1) Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4-nitro-, compd. with 2-pyridinamine (2:1)
- 4-nitrophenol,pyridin-2-amine
- 4-Nitrophenol--pyridin-2-amine (2/1)
- DTXSID00836866
- 827322-46-3
-
- Inchi： 1S/2C6H5NO3.C5H6N2/c2*8-6-3-1-5(2-4-6)7(9)10;6-5-3-1-2-4-7-5/h2*1-4,8H;1-4H,(H2,6,7)
- InChI Key： JKZJOZBLVBHBQM-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)[N+](=O)[O-].OC1C=CC(=CC=1)[N+](=O)[O-].N1C=CC=CC=1N
Computed Properties
- Exact Mass: 372.10698424g/mol
- Monoisotopic Mass: 372.10698424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 178
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 171?2
Phenol, 4-nitro-, compd. with 2-pyridinamine (2:1) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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