Cas no 73930-99-1 (Benzene, 1-nitro-2-(1-propenyl)-)
73930-99-1 structure
Product Name:Benzene, 1-nitro-2-(1-propenyl)-
CAS No:73930-99-1
MF:C9H9NO2
MW:163.173262357712
CID:1764601
PubChem ID:21249573
Update Time:2025-04-21
Benzene, 1-nitro-2-(1-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-nitro-2-(1-propenyl)-
- Benzene, 1-nitro-2-(1-propen-1-yl)-
- 73930-99-1
- 1-Nitro-2-(1E)-1-propen-1-ylbenzene
- SCHEMBL7516374
- (1e)-2-nitro-1-propenylbenzene
- SCHEMBL415690
- 4036-19-5
-
- Inchi： 1S/C9H9NO2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h2-7H,1H3/b5-2+
- InChI Key： XXOSNQLGTJHMTC-GORDUTHDSA-N
- SMILES： [O-][N+](C1C=CC=CC=1/C=C/C)=O
Computed Properties
- Exact Mass: 163.063328530g/mol
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 45.8?2
Benzene, 1-nitro-2-(1-propenyl)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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