Cas no 390417-74-0 (Benzene, 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)-)
![Benzene, 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)- structure](https://ossimg.kuujia.com/scimg/390500/390417-74-0x500.png)
390417-74-0 structure
Product Name:Benzene, 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)-
CAS No:390417-74-0
MF:C27H23BrO3
MW:475.373727083206
CID:292202
PubChem ID:12048419
Update Time:2025-04-19
Benzene, 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)-
- 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
- 390417-74-0
- DTXSID70476470
- SCHEMBL13903288
-
- Inchi： 1S/C27H23BrO3/c28-24-11-13-25(14-12-24)29-20-23-15-26(30-18-21-7-3-1-4-8-21)17-27(16-23)31-19-22-9-5-2-6-10-22/h1-17H,18-20H2
- InChI Key： XRCDUUHOVKXKKN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)OCC1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 474.08309
- Monoisotopic Mass: 474.08306g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 9
- Complexity: 451
- 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
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
Benzene, 1-[(4-bromophenoxy)methyl]-3,5-bis(phenylmethoxy)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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