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Home Halogens tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate

tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate

CAS No.:
1202864-54-7
Catalog Number:
AG0099RN
Molecular Formula:
C11H11BrClN3O2
Molecular Weight:
332.5809
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$57
- +
5g
95%
In Stock USA
United States
$250
- +
25g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG0099RN
Chemical Name:
tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CAS Number:
1202864-54-7
Molecular Formula:
C11H11BrClN3O2
Molecular Weight:
332.5809
MDL Number:
MFCD15144827
IUPAC Name:
tert-butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C11H11BrClN3O2/c1-11(2,3)18-10(17)16-4-6(12)7-8(13)14-5-15-9(7)16/h4-5H,1-3H3
InChI Key:
MLKPVEXAHVARSD-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1ncnc2Cl)Br)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:
330.972g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.582g/mol
Monoisotopic Mass:
330.972g/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