Home Halogens Ethyl 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Ethyl 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

CAS No.:
187725-00-4
Catalog Number:
AG002GGK
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$177
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Product Description
Catalog Number:
AG002GGK
Chemical Name:
Ethyl 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CAS Number:
187725-00-4
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD09839778
IUPAC Name:
ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13)
InChI Key:
BMVGJDTURCUCNP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncnc2Cl
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:
2.2  
Properties