Home Halogens 4,6-Dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine

4,6-Dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:
864292-48-8
Catalog Number:
AG004NLD
Molecular Formula:
C7H6Cl2N4
Molecular Weight:
217.0553
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Product Description
Catalog Number:
AG004NLD
Chemical Name:
4,6-Dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
864292-48-8
Molecular Formula:
C7H6Cl2N4
Molecular Weight:
217.0553
MDL Number:
MFCD16249852
IUPAC Name:
4,6-dichloro-1-ethylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C7H6Cl2N4/c1-2-13-6-4(3-10-13)5(8)11-7(9)12-6/h3H,2H2,1H3
InChI Key:
MBSDYSAYKSKMQZ-UHFFFAOYSA-N
SMILES:
CCn1ncc2c1nc(Cl)nc2Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.997g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.053g/mol
Monoisotopic Mass:
215.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties