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Home Halogens Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

CAS No.:
144927-57-1
Catalog Number:
AG001KDG
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$149
- +
Product Description
Catalog Number:
AG001KDG
Chemical Name:
Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CAS Number:
144927-57-1
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD11518913
IUPAC Name:
ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-11-8-6(5)7(10)12-4-13-8/h3-4H,2H2,1H3,(H,11,12,13)
InChI Key:
PCLIRPRTLSCXET-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1c(Cl)ncn2
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Essential biphasic role for JAK3 catalytic activity in IL-2 receptor signaling. Nature chemical biology 20160501
Properties