Cas no 512175-96-1 (1,4-Cyclohexadiene, 3-chloro-)
1,4-Cyclohexadiene, 3-chloro- structure
Product Name:1,4-Cyclohexadiene, 3-chloro-
CAS No:512175-96-1
MF:C6H7Cl
MW:114.572780847549
CID:362977
PubChem ID:54010332
Update Time:2025-04-19
1,4-Cyclohexadiene, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexadiene, 3-chloro-
- 3-chlorocyclohexa-1,4-diene
- 512175-96-1
- DTXSID70708344
- SCHEMBL4350602
-
- Inchi： 1S/C6H7Cl/c7-6-4-2-1-3-5-6/h2-6H,1H2
- InChI Key： OJLQSLIRQCMQSQ-UHFFFAOYSA-N
- SMILES： ClC1C=CCC=C1
Computed Properties
- Exact Mass: 114.02371
- Monoisotopic Mass: 114.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 90.7
- 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: 2.3
- Topological Polar Surface Area: 0A^2
Experimental Properties
- PSA: 0
1,4-Cyclohexadiene, 3-chloro- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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