Cas no 32122-65-9 (Propanedinitrile, (2-chlorophenyl)-)
32122-65-9 structure
Product Name:Propanedinitrile, (2-chlorophenyl)-
CAS No:32122-65-9
MF:C9H5ClN2
MW:176.602400541306
CID:1450046
PubChem ID:11275342
Update Time:2025-04-20
Propanedinitrile, (2-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, (2-chlorophenyl)-
- 2-(2-chlorophenyl)propanedinitrile
- 2-(3-chlorophenyl)propanedinitrile
- SCHEMBL8660409
- DTXSID80460825
- 2-Chlorophenylmalononitrile
- AKOS006279866
- 32122-65-9
-
- Inchi： 1S/C9H5ClN2/c10-9-4-2-1-3-8(9)7(5-11)6-12/h1-4,7H
- InChI Key： ZYKSUEBAYLIBNE-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(C#N)C#N
Computed Properties
- Exact Mass: 176.01425
- Monoisotopic Mass: 176.0141259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 228
- 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: 2.2
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
Propanedinitrile, (2-chlorophenyl)- Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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