161291-04-9,MFCD09037830
Catalog No.:AA001S80

161291-04-9 | 1-Bromo-3-(hexyloxy)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
2 weeks  
$1,502.00   $1,052.00
- +
5g
97%
2 weeks  
$3,825.00   $2,678.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001S80
Chemical Name:
1-Bromo-3-(hexyloxy)benzene
CAS Number:
161291-04-9
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
MDL Number:
MFCD09037830
SMILES:
CCCCCCOc1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.2  

Downstream Synthesis Route

[1]Yang,Xuan;Rominger,Frank;Mastalerz,Michael[Chemistry-AEuropeanJournal,2021,vol.27,#57,p.14345-14352]

[2]Liu,Hong-Yi;Wu,Pei-Jing;Kuo,Shih-Yu;Chen,Chuan-Pin;Chang,En-Hao;Wu,Chang-Yi;Chan,Yang-Hsiang[JournaloftheAmericanChemicalSociety,2015,vol.137,#32,p.10420-10429]

[3]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

[4]Jong,YeonHwang;Arnold,LeggyA.;Zhu,Fangyi;Kosinski,Aaron;Mangano,ThomasJ.;Setola,Vincent;Roth,BryanL.;Guy,R.Kiplin[JournalofMedicinalChemistry,2009,vol.52,#13,p.3892-3901]

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

Literature
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Additional Info:
SDS
Tags:161291-04-9 Molecular Formula|161291-04-9 MDL|161291-04-9 SMILES|161291-04-9 1-Bromo-3-(hexyloxy)benzene
Catalog No.: AA001S80
161291-04-9,MFCD09037830
161291-04-9 | 1-Bromo-3-(hexyloxy)benzene
Pack Size: 1g
Purity: 97%
2 weeks
$1,502.00 $1,052.00
Pack Size: 5g
Purity: 97%
2 weeks
$3,825.00 $2,678.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001S80
Chemical Name: 1-Bromo-3-(hexyloxy)benzene
CAS Number: 161291-04-9
Molecular Formula: C12H17BrO
Molecular Weight: 257.1668
MDL Number: MFCD09037830
SMILES: CCCCCCOc1cccc(c1)Br
Properties
Complexity: 138  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.2  
Downstream Synthesis Route
111-25-1    591-20-8    161291-04-9 

[1]Yang,Xuan;Rominger,Frank;Mastalerz,Michael[Chemistry-AEuropeanJournal,2021,vol.27,#57,p.14345-14352]

[2]Liu,Hong-Yi;Wu,Pei-Jing;Kuo,Shih-Yu;Chen,Chuan-Pin;Chang,En-Hao;Wu,Chang-Yi;Chan,Yang-Hsiang[JournaloftheAmericanChemicalSociety,2015,vol.137,#32,p.10420-10429]

[3]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

[4]Jong,YeonHwang;Arnold,LeggyA.;Zhu,Fangyi;Kosinski,Aaron;Mangano,ThomasJ.;Setola,Vincent;Roth,BryanL.;Guy,R.Kiplin[JournalofMedicinalChemistry,2009,vol.52,#13,p.3892-3901]

161291-04-9    442686-90-0 

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

161291-04-9    393171-26-1 

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

161291-04-9    393171-27-2 

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

161291-04-9    393171-28-3 

[1]Cammidge;Gopee[JournalofMaterialsChemistry,2001,vol.11,#11,p.2773-2783]

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