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Home Carboxys 4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester

4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester

CAS No.:
1244855-76-2
Catalog Number:
AG009X8I
Molecular Formula:
C11H11ClIN3O2
Molecular Weight:
379.5814
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$140
- +
1g
95%
In Stock USA
United States
$294
- +
5g
95%
In Stock USA
United States
$1119
- +
Product Description
Catalog Number:
AG009X8I
Chemical Name:
4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
CAS Number:
1244855-76-2
Molecular Formula:
C11H11ClIN3O2
Molecular Weight:
379.5814
MDL Number:
MFCD20922795
IUPAC Name:
tert-butyl 4-chloro-5-iodopyrrolo[2,3-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C11H11ClIN3O2/c1-11(2,3)18-10(17)16-4-6(13)7-8(12)14-5-15-9(7)16/h4-5H,1-3H3
InChI Key:
AGIMUTXQXSASMW-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1ncnc2Cl)I)OC(C)(C)C
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.958g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.582g/mol
Monoisotopic Mass:
378.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties