Cas no 542813-75-2 (2,4-Cyclohexadien-1-one, 2,4-dichloro- (9CI);)
542813-75-2 structure
Product Name:2,4-Cyclohexadien-1-one, 2,4-dichloro- (9CI);
CAS No:542813-75-2
MF:C6H4Cl2O
MW:163.001359939575
CID:940447
PubChem ID:85838792
Update Time:2025-04-19
2,4-Cyclohexadien-1-one, 2,4-dichloro- (9CI); Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Cyclohexadien-1-one,2,4-dichloro-(9CI)
- DB-269417
- 542813-75-2
- 2,4-Cyclohexadien-1-one, 2,4-dichloro-
- 2,4-Cyclohexadien-1-one, 2,4-dichloro- (9CI);
-
- Inchi： 1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1,3H,2H2
- InChI Key： NSARLUGSAAQLJF-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CCC1=O)Cl
Computed Properties
- Exact Mass: 161.9639201g/mol
- Monoisotopic Mass: 161.9639201g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 203
- 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: 17.1?2
2,4-Cyclohexadien-1-one, 2,4-dichloro- (9CI); Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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