Cas no 89081-06-1 (Quinoline, 2-chloro-4-methyl-3-phenyl-)
89081-06-1 structure
Product Name:Quinoline, 2-chloro-4-methyl-3-phenyl-
CAS No:89081-06-1
MF:C16H12ClN
MW:253.726182937622
CID:613104
PubChem ID:14001221
Update Time:2025-04-19
Quinoline, 2-chloro-4-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 2-chloro-4-methyl-3-phenyl-
- 2-chloro-4-methyl-3-phenylquinoline
- DYSUHDOSVZCJEW-UHFFFAOYSA-N
- SCHEMBL1787324
- DTXSID90554002
- 89081-06-1
-
- Inchi： 1S/C16H12ClN/c1-11-13-9-5-6-10-14(13)18-16(17)15(11)12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key： DYSUHDOSVZCJEW-UHFFFAOYSA-N
- SMILES： ClC1=C(C2C=CC=CC=2)C(C)=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 253.0658271g/mol
- Monoisotopic Mass: 253.0658271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 274
- 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: 5.1
- Topological Polar Surface Area: 12.9?2
Quinoline, 2-chloro-4-methyl-3-phenyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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