Cas no 58200-07-0 ( )
structure
Product Name:
CAS No:58200-07-0
MF:C8H9N5O4
MW:239.188160657883
CID:948170
PubChem ID:297271
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [3-(carbamoylamino)-5-nitrophenyl]urea
- 1,1'-(5-nitrobenzene-1,3-diyl)diurea
- AC1L6RDU
- NSC168341
- NSC-168341
- N,N'-(5-Nitro-1,3-phenylene)diurea
- DTXSID50304924
- 58200-07-0
-
-
- Inchi： 1S/C8H9N5O4/c9-7(14)11-4-1-5(12-8(10)15)3-6(2-4)13(16)17/h1-3H,(H3,9,11,14)(H3,10,12,15)
- InChI Key： XGJBDNJFTMCINV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)NC(N)=O)NC(N)=O)=O
Computed Properties
- Exact Mass: 239.06557
- Monoisotopic Mass: 239.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 304
- 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: -1
- Topological Polar Surface Area: 156?2
Experimental Properties
- Density: 1.687
- Boiling Point: 400.9°C at 760 mmHg
- Flash Point: 196.2°C
- Refractive Index: 1.774
- PSA: 153.38
- LogP: 2.64580
Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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