Cas no 78725-50-5 (Benzaldehyde, 4-(3,4-dichlorophenoxy)-)
78725-50-5 structure
Product Name:Benzaldehyde, 4-(3,4-dichlorophenoxy)-
CAS No:78725-50-5
MF:C13H8Cl2O2
MW:267.107421875
CID:534042
PubChem ID:10706904
Update Time:2025-04-19
Benzaldehyde, 4-(3,4-dichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-(3,4-dichlorophenoxy)-
- 4-(3,4-dichlorophenoxy)benzaldehyde
- 4-(3,4-DICHLORO-PHENOXY)-BENZALDEHYDE
- 4-(3,4-dichloro-phenoxy)benzaldehyde
- AG-H-15767
- CTK2G5000
- KB-237761
- AKOS005805801
- 4-(3',4'-Dichlorophenoxy)benzaldehyde
- SCHEMBL894981
- ATGVBRQQWGDSHD-UHFFFAOYSA-N
- 78725-50-5
- DTXSID50443822
-
- Inchi： 1S/C13H8Cl2O2/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H
- InChI Key： ATGVBRQQWGDSHD-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)OC1C=CC(C=O)=CC=1)Cl
Computed Properties
- Exact Mass: 265.99000
- Monoisotopic Mass: 265.9901349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 4.59820
Benzaldehyde, 4-(3,4-dichlorophenoxy)- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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