Cas no 6334-19-6 ( )
structure
Product Name:
CAS No:6334-19-6
MF:C18H20Br2O3
MW:444.157604217529
CID:959839
PubChem ID:231775
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-bromopropoxy)-4-[4-(3-bromopropoxy)phenoxy]benzene
- NSC-28491
- DTXSID80979462
- 6334-19-6
- NSC28491
- 1,1'-oxybis[4-(3-bromopropoxy)benzene]
-
-
- Inchi： 1S/C18H20Br2O3/c19-11-1-13-21-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)22-14-2-12-20/h3-10H,1-2,11-14H2
- InChI Key： BYSWXMQDQWORLO-UHFFFAOYSA-N
- SMILES： BrCCCOC1C=CC(=CC=1)OC1C=CC(=CC=1)OCCCBr
Computed Properties
- Exact Mass: 441.97800
- Monoisotopic Mass: 441.97792g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 10
- Complexity: 260
- 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: 5.6
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69000
- LogP: 5.80650
Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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