Home Halogens tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

CAS No.:
1053657-15-0
Catalog Number:
AG008Z2U
Molecular Formula:
C11H14ClN3O2
Molecular Weight:
255.7008
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$213
- +
250mg
95%
In Stock USA
United States
$350
- +
1g
95%
In Stock USA
United States
$888
- +
5g
95%
In Stock USA
United States
$3675
- +
Product Description
Catalog Number:
AG008Z2U
Chemical Name:
tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CAS Number:
1053657-15-0
Molecular Formula:
C11H14ClN3O2
Molecular Weight:
255.7008
MDL Number:
MFCD08273924
IUPAC Name:
tert-butyl 4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C11H14ClN3O2/c1-11(2,3)17-10(16)15-4-7-8(5-15)13-6-14-9(7)12/h6H,4-5H2,1-3H3
InChI Key:
WYPZAZKOWIMMSS-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)ncnc2Cl)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:
255.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.702g/mol
Monoisotopic Mass:
255.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties