Home Other Building Blocks 3-BROMO-7-CHLORO-1-METHYL-1H-PYRAZOLO[4,3-D]PYRIMIDINE

3-BROMO-7-CHLORO-1-METHYL-1H-PYRAZOLO[4,3-D]PYRIMIDINE

CAS No.:
1260787-71-0
Catalog Number:
AG01DYM9
Molecular Formula:
C6H4BrClN4
Molecular Weight:
247.4798
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Product Description
Catalog Number:
AG01DYM9
Chemical Name:
3-BROMO-7-CHLORO-1-METHYL-1H-PYRAZOLO[4,3-D]PYRIMIDINE
CAS Number:
1260787-71-0
Molecular Formula:
C6H4BrClN4
Molecular Weight:
247.4798
MDL Number:
MFCD16659602
IUPAC Name:
3-bromo-7-chloro-1-methylpyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C6H4BrClN4/c1-12-4-3(5(7)11-12)9-2-10-6(4)8/h2H,1H3
InChI Key:
XYEGGXQLIPIEEV-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1c(Cl)ncn2)Br
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.931g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.48g/mol
Monoisotopic Mass:
245.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties