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123148-78-7,MFCD09263258
Catalog No.:AA000JZH

123148-78-7 | 4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$7.00   $5.00
- +
5g
98%
in stock  
$13.00   $9.00
- +
10g
98%
in stock  
$18.00   $12.00
- +
25g
98%
in stock  
$29.00   $20.00
- +
100g
98%
in stock  
$108.00   $75.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000JZH
Chemical Name:
4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine
CAS Number:
123148-78-7
Molecular Formula:
C6H3ClIN3
Molecular Weight:
279.4656
MDL Number:
MFCD09263258
SMILES:
Ic1c[nH]c2c1c(Cl)ncn2
Properties
Properties
 
BP:
241.0±50.0°C at 760 mmHg  
Form:
Solid  
MP:
179-183 °C  
Stability:
Light Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
157  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.3  

Literature

Title: Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Journal: Journal of medicinal chemistry 20090528

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Additional Info:
SDS
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Tags:123148-78-7 Molecular Formula|123148-78-7 MDL|123148-78-7 SMILES|123148-78-7 4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine |Organic_Building_Blocks