Cas no 1140-37-0 (1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethanone)
1140-37-0 structure
Product Name:1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethanone
CAS No:1140-37-0
MF:C12H11ClN2O
MW:234.68154168129
CID:2612119
PubChem ID:958542
Update Time:2025-04-21
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethanone
- DTXSID30359316
- 1140-37-0
- AKOS000671480
- 1-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone
- BAS 07567269
- 1-phenyl-3-methyl-5-chloro-4-acetylpyrazole
- SR-01000322065-1
- SR-01000322065
-
- Inchi： 1S/C12H11ClN2O/c1-8-11(9(2)16)12(13)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
- InChI Key： QKWRIGZJEGWRJK-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C)=O)C(C)=NN1C1C=CC=CC=1
Computed Properties
- Exact Mass: 234.0559907Da
- Monoisotopic Mass: 234.0559907Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 266
- 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: 2.9
- Topological Polar Surface Area: 34.9?2
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethanone Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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