Cas no 91047-72-2 (5-Benzyl-4-chloro-2-phenylpyrimidine)
91047-72-2 structure
Product Name:5-Benzyl-4-chloro-2-phenylpyrimidine
CAS No:91047-72-2
MF:C17H13ClN2
MW:280.751522779465
CID:2813305
PubChem ID:13258435
Update Time:2025-04-21
5-Benzyl-4-chloro-2-phenylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- DTXCID00483319
- 91047-72-2
- 2-phenyl-4-chloro-5-benzylpyrimidine
- DTXSID20532530
- 5-Benzyl-4-chloro-2-phenylpyrimidine
-
- Inchi: 1S/C17H13ClN2/c18-16-15(11-13-7-3-1-4-8-13)12-19-17(20-16)14-9-5-2-6-10-14/h1-10,12H,11H2
- InChI Key: HUJIINJFWAAXTF-UHFFFAOYSA-N
- SMILES: ClC1C(=CN=C(C2C=CC=CC=2)N=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 280.0767261Da
- Monoisotopic Mass: 280.0767261Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 4.7
- Topological Polar Surface Area: 25.8?2
5-Benzyl-4-chloro-2-phenylpyrimidine Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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