Cas no 5481-04-9 ((6Z)-6-[5-(2-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one)
![(6Z)-6-[5-(2-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one structure](https://ossimg.kuujia.com/scimg/5500/5481-04-9x500.png)
5481-04-9 structure
Product Name:(6Z)-6-[5-(2-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one
CAS No:5481-04-9
MF:C15H11N3O3
MW:281.266143083572
CID:1590960
PubChem ID:3702104
Update Time:2025-04-21
(6Z)-6-[5-(2-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Chemical and Physical Properties
Names and Identifiers
-
- (6Z)-6-[5-(2-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one
- HMS2578M20
- 2-[5-(2-Nitro-phenyl)-1H-pyrazol-3-yl]-phenol
- AKOS005624694
- 5481-04-9
- SMR000212795
- STK838451
- SCHEMBL10357786
- MLS000589352
- CHEMBL1506264
- 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
- DTXSID60416865
-
- Inchi： 1S/C15H11N3O3/c19-15-8-4-2-6-11(15)13-9-12(16-17-13)10-5-1-3-7-14(10)18(20)21/h1-9,19H,(H,16,17)
- InChI Key： QZUSBOXKBMDUQQ-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C1C=C(C2C=CC=CC=2[N+](=O)[O-])NN=1
Computed Properties
- Exact Mass: 281.08013
- Monoisotopic Mass: 281.08004122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 374
- 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: 3
- Topological Polar Surface Area: 94.7?2
Experimental Properties
- PSA: 84.27
(6Z)-6-[5-(2-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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