Cas no 1953-73-7 ( )
structure
Product Name:
CAS No:1953-73-7
MF:C22H17Cl2N
MW:366.283083677292
CID:908201
PubChem ID:291218
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- CTK3F7006; Cyclohexanone, 2,6-bis[(2,4-dimethoxyphenyl)methylene]-; ACMC-20lwsq; ChemDiv1_019075; AC1MDD57; MCULE-4518225167;
- 3-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]-2-phenylpropanenitrile
- 1953-73-7
- NSC156174
- NSC-156174
- DTXSID90941296
-
-
- Inchi： 1S/C22H17Cl2N/c23-20-12-6-4-8-17(20)14-22(16-25,19-10-2-1-3-11-19)15-18-9-5-7-13-21(18)24/h1-13H,14-15H2
- InChI Key： KKAWXUZNDPKDRT-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1CC(C#N)(C1C=CC=CC=1)CC1C=CC=CC=1Cl
Computed Properties
- Exact Mass: 365.07401
- Monoisotopic Mass: 365.0738049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 438
- 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: 6.6
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
- LogP: 6.24018
Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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