Cas no 793681-28-4 (1H-Pyrazole,1-methyl-3-(2,4,6-trimethylphenyl)-)
793681-28-4 structure
Product Name:1H-Pyrazole,1-methyl-3-(2,4,6-trimethylphenyl)-
CAS No:793681-28-4
MF:C13H16N2
MW:200.279542922974
CID:556292
Update Time:2022-07-25
1H-Pyrazole,1-methyl-3-(2,4,6-trimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole,1-methyl-3-(2,4,6-trimethylphenyl)-
- 1H-Pyrazole,1-methyl-3-(2,4,6-trimethylphenyl)-(9CI)
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- Inchi： 1S/C13H16N2/c1-9-7-10(2)13(11(3)8-9)12-5-6-15(4)14-12/h5-8H,1-4H3
- InChI Key： GHSNOCRNPROMPK-UHFFFAOYSA-N
- SMILES： N1(C)C=CC(C2=C(C)C=C(C)C=C2C)=N1
Computed Properties
- Exact Mass: 200.131
- Monoisotopic Mass: 200.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 205
- 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
- Topological Polar Surface Area: 17.8A^2
1H-Pyrazole,1-methyl-3-(2,4,6-trimethylphenyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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