Cas no 727-95-7 ((1H-INDOL-3-YL)-M-TOLYL-METHANONE)
727-95-7 structure
Product Name:(1H-INDOL-3-YL)-M-TOLYL-METHANONE
CAS No:727-95-7
MF:C16H13NO
MW:235.280524015427
CID:859591
PubChem ID:43161262
Update Time:2025-04-19
(1H-INDOL-3-YL)-M-TOLYL-METHANONE Chemical and Physical Properties
Names and Identifiers
-
- (1H-INDOL-3-YL)-M-TOLYL-METHANONE
- 1H-indol-3-yl-(3-methylphenyl)methanone
- SCHEMBL22462631
- 727-95-7
- DTXSID70655622
- (1H-Indol-3-yl)(3-methylphenyl)methanone
-
- MDL： MFCD11501463
- Inchi： 1S/C16H13NO/c1-11-5-4-6-12(9-11)16(18)14-10-17-15-8-3-2-7-13(14)15/h2-10,17H,1H3
- InChI Key： CZGUJSMAFZNUDH-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)C=1)C1=CNC2C=CC=CC1=2
Computed Properties
- Exact Mass: 235.1
- Monoisotopic Mass: 235.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 314
- 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: 4.1
- Topological Polar Surface Area: 32.9A^2
(1H-INDOL-3-YL)-M-TOLYL-METHANONE Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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