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Home Other Building Blocks 4-Chloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidine

4-Chloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidine

CAS No.:
23000-43-3
Catalog Number:
AG002LTB
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$263
- +
10g
98%
In Stock USA
United States
$450
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG002LTB
Chemical Name:
4-Chloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
CAS Number:
23000-43-3
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
MDL Number:
MFCD00661967
IUPAC Name:
4-chloro-1-methylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C6H5ClN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
InChI Key:
AVFLNALVPBLGEV-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1ncnc2Cl
NSC Number:
1424
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorganic & medicinal chemistry letters 20061215
Properties