Cas no 105828-42-0 (2-Imidazolidinimine, 1-benzoyl-3-[(6-chloro-3-pyridinyl)methyl]-N-nitro-)
![2-Imidazolidinimine, 1-benzoyl-3-[(6-chloro-3-pyridinyl)methyl]-N-nitro- structure](https://ossimg.kuujia.com/scimg/106000/105828-42-0x500.png)
105828-42-0 structure
Product Name:2-Imidazolidinimine, 1-benzoyl-3-[(6-chloro-3-pyridinyl)methyl]-N-nitro-
CAS No:105828-42-0
MF:C16H14ClN5O3
MW:359.767061710358
CID:1161308
PubChem ID:71333865
Update Time:2025-04-20
2-Imidazolidinimine, 1-benzoyl-3-[(6-chloro-3-pyridinyl)methyl]-N-nitro- Chemical and Physical Properties
Names and Identifiers
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- 2-Imidazolidinimine, 1-benzoyl-3-[(6-chloro-3-pyridinyl)methyl]-N-nitro-
- N-[1-benzoyl-3-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide
- DTXSID20762052
- 105828-42-0
- N-{1-Benzoyl-3-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}nitramide
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- Inchi： 1S/C16H14ClN5O3/c17-14-7-6-12(10-18-14)11-20-8-9-21(16(20)19-22(24)25)15(23)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
- InChI Key： SHJYDLMYMFKXMY-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=N1)CN1C(=N[N+](=O)[O-])N(C(C2C=CC=CC=2)=O)CC1
Computed Properties
- Exact Mass: 359.07872
- Monoisotopic Mass: 359.0785170g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 532
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 94.6?2
Experimental Properties
- PSA: 91.94
- LogP: 2.63970
2-Imidazolidinimine, 1-benzoyl-3-[(6-chloro-3-pyridinyl)methyl]-N-nitro- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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