Home Halogens 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS No.:
925675-85-0
Catalog Number:
AG019UCN
Molecular Formula:
C8H5ClN4O
Molecular Weight:
208.6045
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Product Description
Catalog Number:
AG019UCN
Chemical Name:
5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Number:
925675-85-0
Molecular Formula:
C8H5ClN4O
Molecular Weight:
208.6045
MDL Number:
MFCD11857803
IUPAC Name:
5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C8H5ClN4O/c9-2-6-1-7(14)13-8(12-6)5(3-10)4-11-13/h1,4,11H,2H2
InChI Key:
YMRXJHMUHLFZJJ-UHFFFAOYSA-N
SMILES:
ClCc1cc(O)n2c(n1)c(C#N)cn2
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.605g/mol
Monoisotopic Mass:
208.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties