Cas no 68845-76-1 (Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-)
![Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/69000/68845-76-1x500.png)
68845-76-1 structure
Product Name:Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-
CAS No:68845-76-1
MF:C12H9F3N2
MW:238.208472967148
CID:392523
PubChem ID:10657542
Update Time:2025-04-19
Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-
- 5-methyl-3-[3-(trifluoromethyl)phenyl]pyridazine
- 5-methyl-3(alpha,alpha,alpha-trifluoro-m-tolyl)pyridazine
- SCHEMBL10836184
- 68845-76-1
- DTXSID50443140
-
- Inchi： 1S/C12H9F3N2/c1-8-5-11(17-16-7-8)9-3-2-4-10(6-9)12(13,14)15/h2-7H,1H3
- InChI Key： KTYFHYVTXPJXSG-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C=1)C1=CC(=CN=N1)C)(F)F
Computed Properties
- Exact Mass: 238.07178278g/mol
- Monoisotopic Mass: 238.07178278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 255
- 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: 2.8
- Topological Polar Surface Area: 25.8?2
Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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