Cas no 112960-55-1 (3-(4-Chloro-benzyl)-5-chloromethyl-[1,2,4]oxadiazole)
![3-(4-Chloro-benzyl)-5-chloromethyl-[1,2,4]oxadiazole structure](https://ossimg.kuujia.com/scimg/113000/112960-55-1x500.png)
112960-55-1 structure
Product Name:3-(4-Chloro-benzyl)-5-chloromethyl-[1,2,4]oxadiazole
CAS No:112960-55-1
MF:C10H8Cl2N2O
MW:243.0893201828
CID:3103484
PubChem ID:8027187
Update Time:2025-04-21
3-(4-Chloro-benzyl)-5-chloromethyl-[1,2,4]oxadiazole Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-Chloro-benzyl)-5-chloromethyl-[1,2,4]oxadiazole
- STK695915
- 112960-55-1
- AKOS000143151
- 3-(4-chlorobenzyl)-5-(chloromethyl)-1,2,4-oxadiazole
- 5-(chloromethyl)-3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
- SCHEMBL9670480
- DB-427037
-
- Inchi： 1S/C10H8Cl2N2O/c11-6-10-13-9(14-15-10)5-7-1-3-8(12)4-2-7/h1-4H,5-6H2
- InChI Key： FJCFAJFHPOIXSU-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CC1=NOC(CCl)=N1
Computed Properties
- Exact Mass: 242.0013683Da
- Monoisotopic Mass: 242.0013683Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 198
- 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: 3.1
- Topological Polar Surface Area: 38.9?2
3-(4-Chloro-benzyl)-5-chloromethyl-[1,2,4]oxadiazole Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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