sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 2-Chloro-7h-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid 1,1-dimethylethyl ester

2-Chloro-7h-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid 1,1-dimethylethyl ester

CAS No.:
1393648-54-8
Catalog Number:
AG001AVJ
Molecular Formula:
C11H12ClN3O2
Molecular Weight:
253.6849
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$175
- +
5g
95%
In Stock USA
United States
$525
- +
10g
95%
In Stock USA
United States
$938
- +
25g
95%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG001AVJ
Chemical Name:
2-Chloro-7h-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid 1,1-dimethylethyl ester
CAS Number:
1393648-54-8
Molecular Formula:
C11H12ClN3O2
Molecular Weight:
253.6849
MDL Number:
MFCD27987436
IUPAC Name:
tert-butyl 2-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)15-5-4-7-6-13-9(12)14-8(7)15/h4-6H,1-3H3
InChI Key:
MQYAJRKBAUVWGV-UHFFFAOYSA-N
SMILES:
O=C(n1ccc2c1nc(Cl)nc2)OC(C)(C)C
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.686g/mol
Monoisotopic Mass:
253.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties