Cas no 842-13-7 (Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-)
![Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]- structure](https://ossimg.kuujia.com/scimg/1000/842-13-7x500.png)
842-13-7 structure
Product Name:Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-
CAS No:842-13-7
MF:C14H8Cl2N2O
MW:291.132121086121
CID:733537
PubChem ID:9584087
Update Time:2025-04-19
Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-
- (2Z)-2-[(4Z)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile
- (2Z)-2-[(4E)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile
- 842-13-7
- 2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dienyliden)-2-(4-chlorophenyl)acetonitrile
-
- Inchi： 1S/C14H8Cl2N2O/c15-11-4-1-9(2-5-11)12(8-17)10-3-6-14(18-19)13(16)7-10/h1-7,19H/b12-10+,18-14+
- InChI Key： KASFVGQOBYGUEY-MNCUKKGWSA-N
- SMILES： ClC1C(C=CC(C=1)=C(C#N)C1C=CC(=CC=1)Cl)=NO |t:7,18|
Computed Properties
- Exact Mass: 290.0013683g/mol
- Monoisotopic Mass: 290.0013683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 529
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 56.4?2
Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
842-13-7 (Benzeneacetonitrile, 4-chloro-a-[3-chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-) Related Products
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