Cas no 835653-09-3 (1H-Pyrazole, compd. with benzene (1:1))
835653-09-3 structure
Product Name:1H-Pyrazole, compd. with benzene (1:1)
CAS No:835653-09-3
MF:C9H10N2
MW:146.189101696014
CID:668926
PubChem ID:22756850
Update Time:2025-04-19
1H-Pyrazole, compd. with benzene (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, compd. with benzene (1:1)
- benzene,1H-pyrazole
- 835653-09-3
- DTXSID40628141
- Benzene--1H-pyrazole (1/1)
-
- Inchi： 1S/C6H6.C3H4N2/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;1-3H,(H,4,5)
- InChI Key： XLTRGZZLGXNXGD-UHFFFAOYSA-N
- SMILES： N1C=CC=N1.C1C=CC=CC=1
Computed Properties
- Exact Mass: 146.084398327g/mol
- Monoisotopic Mass: 146.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 43.6
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 28.7?2
1H-Pyrazole, compd. with benzene (1:1) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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