Cas no 13201-86-0 (Urea,N,N'-bis(2-nitrophenyl)-)
Urea,N,N'-bis(2-nitrophenyl)- structure
Product Name:Urea,N,N'-bis(2-nitrophenyl)-
CAS No:13201-86-0
MF:C13H10N4O5
MW:302.242302417755
CID:195033
PubChem ID:241638
Update Time:2025-04-19
Urea,N,N'-bis(2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N,N'-bis(2-nitrophenyl)-
- 1,3-bis(2-nitrophenyl)urea
- 1,3-bis(o-nitrophenyl)urea
- 2,2'-dinitrocarbanilide
- AC1L67SE
- AC1Q5NIS
- Ambcb5302523
- CTK4B7661
- KST-1B5747
- N-(2-nitrophenyl)-N'-(2'-nitrophenyl)urea
- N-(2-nitrophenyl)-N'-(2-nitrophenyl)urea
- N,N'-bis(2-nitrophenyl)urea
- N,N'-bis-(2-nitro-phenyl)-urea
- NSC49342
- AS-0433
- SR-01000203555-1
- NSC-49342
- SCHEMBL11332310
- 13201-86-0
- N,N'-bis(2-nitrophenyl) urea
- DTXSID00287157
- SR-01000203555
- 5302-52-3
-
- Inchi： 1S/C13H10N4O5/c18-13(14-9-5-1-3-7-11(9)16(19)20)15-10-6-2-4-8-12(10)17(21)22/h1-8H,(H2,14,15,18)
- InChI Key： QZLBMMPGNZXIAO-UHFFFAOYSA-N
- SMILES： O=C(NC1C=CC=CC=1[N+](=O)[O-])NC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 302.0652
- Monoisotopic Mass: 302.06511943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 395
- 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: 2.8
- Topological Polar Surface Area: 133?2
Experimental Properties
- PSA: 127.41
- LogP: 4.33940
Urea,N,N'-bis(2-nitrophenyl)- Related Literature
-
Isabelle L. Kirby,Mateusz B. Pitak,Marco Wenzel,Claire Wilson,Hazel A. Sparkes,Simon J. Coles,Philip A. Gale CrystEngComm 2013 15 9003
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