188774-56-3,MFCD09743462
Catalog No.:AA002H7V

188774-56-3 | 2-Chloro-5-hydroxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$31.00   $22.00
- +
1g
98%
in stock  
$83.00   $58.00
- +
5g
98%
in stock  
$345.00   $242.00
- +
10g
95%
in stock  
$540.00   $378.00
- +
25g
95%
in stock  
$1,183.00   $828.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002H7V
Chemical Name:
2-Chloro-5-hydroxybenzonitrile
CAS Number:
188774-56-3
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.5658
MDL Number:
MFCD09743462
SMILES:
N#Cc1cc(O)ccc1Cl
Properties
Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2016/11930,2016,A1Locationinpatent:Page/Pagecolumn126

[1]Storer,R.Ian;Owen,RobertM.;Pike,Andy;Benn,CarolineL.;Armstrong,Emma;Blakemore,DavidC.;Bictash,Magda;Costelloe,Kathryn;Impey,Emma;Milliken,PhilipH.;Mortimer-Cassen,Elisabeth;Pearce,HannahJ.;Pibworth,Benjamin;Toschi,Gianna[MedChemComm,2016,vol.7,#8,p.1587-1595]

[1]Liu,Qiufeng;Huang,Fubao;Yuan,Xiaojing;Wang,Kai;Zou,Yi;Shen,Jianhua;Xu,Yechun[JournalofMedicinalChemistry,2017,vol.60,#24,p.10231-10244]

[1]Liu,Qiufeng;Huang,Fubao;Yuan,Xiaojing;Wang,Kai;Zou,Yi;Shen,Jianhua;Xu,Yechun[JournalofMedicinalChemistry,2017,vol.60,#24,p.10231-10244]

[1]Liu,Qiufeng;Huang,Fubao;Yuan,Xiaojing;Wang,Kai;Zou,Yi;Shen,Jianhua;Xu,Yechun[JournalofMedicinalChemistry,2017,vol.60,#24,p.10231-10244]

Literature
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SDS
Related Products of 188774-56-3
Tags:188774-56-3 Molecular Formula|188774-56-3 MDL|188774-56-3 SMILES|188774-56-3 2-Chloro-5-hydroxybenzonitrile
Catalog No.: AA002H7V
188774-56-3,MFCD09743462
188774-56-3 | 2-Chloro-5-hydroxybenzonitrile
Pack Size: 250mg
Purity: 95%
in stock
$31.00 $22.00
Pack Size: 1g
Purity: 98%
in stock
$83.00 $58.00
Pack Size: 5g
Purity: 98%
in stock
$345.00 $242.00
Pack Size: 10g
Purity: 95%
in stock
$540.00 $378.00
Pack Size: 25g
Purity: 95%
in stock
$1,183.00 $828.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002H7V
Chemical Name: 2-Chloro-5-hydroxybenzonitrile
CAS Number: 188774-56-3
Molecular Formula: C7H4ClNO
Molecular Weight: 153.5658
MDL Number: MFCD09743462
SMILES: N#Cc1cc(O)ccc1Cl
Properties
Complexity: 162  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
34036-07-2    188774-56-3    1865785-31-4 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2016/11930,2016,A1Locationinpatent:Page/Pagecolumn126

1235406-63-9    188774-56-3    1632003-37-2 

[1]Storer,R.Ian;Owen,RobertM.;Pike,Andy;Benn,CarolineL.;Armstrong,Emma;Blakemore,DavidC.;Bictash,Magda;Costelloe,Kathryn;Impey,Emma;Milliken,PhilipH.;Mortimer-Cassen,Elisabeth;Pearce,HannahJ.;Pibworth,Benjamin;Toschi,Gianna[MedChemComm,2016,vol.7,#8,p.1587-1595]

17417-09-3    188774-56-3    2196244-18-3 

[1]Liu,Qiufeng;Huang,Fubao;Yuan,Xiaojing;Wang,Kai;Zou,Yi;Shen,Jianhua;Xu,Yechun[JournalofMedicinalChemistry,2017,vol.60,#24,p.10231-10244]

188774-56-3    2196243-99-7 

[1]Liu,Qiufeng;Huang,Fubao;Yuan,Xiaojing;Wang,Kai;Zou,Yi;Shen,Jianhua;Xu,Yechun[JournalofMedicinalChemistry,2017,vol.60,#24,p.10231-10244]

188774-56-3    2196245-39-1 

[1]Liu,Qiufeng;Huang,Fubao;Yuan,Xiaojing;Wang,Kai;Zou,Yi;Shen,Jianhua;Xu,Yechun[JournalofMedicinalChemistry,2017,vol.60,#24,p.10231-10244]

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