Cas no 63457-51-2 (Benzene, 1-(3-bromopropoxy)-4-phenoxy-)
63457-51-2 structure
Product Name:Benzene, 1-(3-bromopropoxy)-4-phenoxy-
CAS No:63457-51-2
MF:C15H15BrO2
MW:307.182403802872
CID:426337
PubChem ID:11255243
Update Time:2025-04-19
Benzene, 1-(3-bromopropoxy)-4-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(3-bromopropoxy)-4-phenoxy-
- 1-(3-bromopropoxy)-4-phenoxybenzene
- DTXSID70460319
- SCHEMBL5375466
- 3-(4-phenoxy-phenoxy)-propyl bromide
- FTWANWWGQQBYFV-UHFFFAOYSA-N
- 4-(3-bromopropoxy)-1-phenoxybenzene
- 4-(3-bromopropoxy)1-phenoxybenzene
- A1-05141
- 63457-51-2
- 3-[4-(phenoxy)-phenoxy]-1-bromopropane
- 3-(p-phenoxyphenoxy)-1-bromopropane
-
- Inchi： 1S/C15H15BrO2/c16-11-4-12-17-13-7-9-15(10-8-13)18-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2
- InChI Key： FTWANWWGQQBYFV-UHFFFAOYSA-N
- SMILES： BrCCCOC1C=CC(=CC=1)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 306.02555
- Monoisotopic Mass: 306.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 209
- 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: 4.5
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1-(3-bromopropoxy)-4-phenoxy- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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