Cas no 89302-80-7 (Benzene, 1-nitro-3-(1,2-propadienyl)-)
89302-80-7 structure
Product Name:Benzene, 1-nitro-3-(1,2-propadienyl)-
CAS No:89302-80-7
MF:C9H7NO2
MW:161.157382249832
CID:604885
PubChem ID:13257084
Update Time:2025-04-19
Benzene, 1-nitro-3-(1,2-propadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-nitro-3-(1,2-propadienyl)-
- 1-nitro-3-propa-1,2-dienylbenzene
- DTXSID70532444
- 1-Nitro-3-propadienylbenzene
- 89302-80-7
-
- Inchi： 1S/C9H7NO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3-7H,1H2
- InChI Key： HWDPQURHKOCSJL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(C=C=C)=C1)=O
Computed Properties
- Exact Mass: 161.047678466g/mol
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 213
- 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: 1.9
- Topological Polar Surface Area: 45.8?2
Benzene, 1-nitro-3-(1,2-propadienyl)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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