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1004992-44-2,MFCD18375135
Catalog No.:AA00021V
1004992-44-2 | 4-Chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$281.00   $197.00
- +
250mg
95.0%
3 weeks  
$373.00   $261.00
- +
500mg
95.0%
3 weeks  
$641.00   $449.00
- +
1g
95.0%
3 weeks  
$835.00   $584.00
- +
  • Technical Information
  • Properties
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00021V
Chemical Name:
4-Chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
1004992-44-2
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD18375135
IUPAC Name:
4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H8ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h3-4H,2H2,1H3,(H,10,11,12)
InChI Key:
HXTUOLGGMWNTJZ-UHFFFAOYSA-N
SMILES:
CCc1c[nH]c2c1c(Cl)ncn2
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine 
1004992-44-2 
AJ-120841 
AX8244269 
FT-0686251 
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethyl- 
C8H8ClN3 
SCHEMBL4780230 
DTXSID20735120 
HXTUOLGGMWNTJZ-UHFFFAOYSA-N 
0212AA 
QC-833 
ZINC72233253 
AKOS015954692 
FCH1177040 
Literature
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