Cas no 74738-20-8 (4-(2-Methylphenyl)-1H-pyrrole-3-carbonitrile)
74738-20-8 structure
Product Name:4-(2-Methylphenyl)-1H-pyrrole-3-carbonitrile
CAS No:74738-20-8
MF:C12H10N2
MW:182.221202373505
CID:867599
PubChem ID:13604655
Update Time:2025-04-19
4-(2-Methylphenyl)-1H-pyrrole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-methylphenyl)-1H-pyrrole-3-carbonitrile
- DTXSID80544836
- AKOS006308499
- 74738-20-8
- SCHEMBL12670736
- 4-(2-Methylphenyl)-1H-pyrrole-3-carbonitrile
-
- Inchi： 1S/C12H10N2/c1-9-4-2-3-5-11(9)12-8-14-7-10(12)6-13/h2-5,7-8,14H,1H3
- InChI Key： JGXNZSVPJWAYNE-UHFFFAOYSA-N
- SMILES： N1C=C(C#N)C(=C1)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 182.084398327g/mol
- Monoisotopic Mass: 182.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 240
- 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: 2.4
- Topological Polar Surface Area: 39.6?2
4-(2-Methylphenyl)-1H-pyrrole-3-carbonitrile Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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