Cas no 596809-66-4 (Benzaldehyde, 4-(3-chloropropoxy)-3-fluoro-)
596809-66-4 structure
Product Name:Benzaldehyde, 4-(3-chloropropoxy)-3-fluoro-
CAS No:596809-66-4
MF:C10H10ClFO2
MW:216.636605739594
CID:1616471
PubChem ID:23033991
Update Time:2025-04-21
Benzaldehyde, 4-(3-chloropropoxy)-3-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-(3-chloropropoxy)-3-fluoro-
- benzaldehyde,4-(3-chloropropoxy)-3-fluoro-
- 596809-66-4
- SCHEMBL1714961
-
- Inchi： 1S/C10H10ClFO2/c11-4-1-5-14-10-3-2-8(7-13)6-9(10)12/h2-3,6-7H,1,4-5H2
- InChI Key： BDJRLGJVFFHEEE-UHFFFAOYSA-N
- SMILES： ClCCCOC1C=CC(C=O)=CC=1F
Computed Properties
- Exact Mass: 216.0354
- Monoisotopic Mass: 216.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 178
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.4
Experimental Properties
- PSA: 26.3
Benzaldehyde, 4-(3-chloropropoxy)-3-fluoro- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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