Cas no 111244-81-6 (Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis-)
111244-81-6 structure
Product Name:Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis-
CAS No:111244-81-6
MF:C22H24Cl2O4
MW:423.329565048218
CID:1202979
PubChem ID:71335514
Update Time:2025-04-20
Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis-
- 3-[8-(3-carbonochloridoylphenoxy)octoxy]benzoyl chloride
- 111244-81-6
- 3,3'-[Octane-1,8-diylbis(oxy)]dibenzoyl chloride
- DTXSID80763464
-
- Inchi: 1S/C22H24Cl2O4/c23-21(25)17-9-7-11-19(15-17)27-13-5-3-1-2-4-6-14-28-20-12-8-10-18(16-20)22(24)26/h7-12,15-16H,1-6,13-14H2
- InChI Key: HHICBWVNGVZGJF-UHFFFAOYSA-N
- SMILES: ClC(C1=CC=CC(=C1)OCCCCCCCCOC1C=CC=C(C(=O)Cl)C=1)=O
Computed Properties
- Exact Mass: 422.10532
- Monoisotopic Mass: 422.1051646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 13
- Complexity: 430
- 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: 7.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis- Related Literature
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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