Home Halogens 5-(chloromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

5-(chloromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

CAS No.:
1258651-02-3
Catalog Number:
AG01AAPB
Molecular Formula:
C7H6ClN3O
Molecular Weight:
183.5950
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Product Description
Catalog Number:
AG01AAPB
Chemical Name:
5-(chloromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CAS Number:
1258651-02-3
Molecular Formula:
C7H6ClN3O
Molecular Weight:
183.5950
MDL Number:
MFCD17480377
IUPAC Name:
5-(chloromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C7H6ClN3O/c8-4-5-3-7(12)11-6(10-5)1-2-9-11/h1-3,9H,4H2
InChI Key:
AJTAVFSWJIJWLN-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)n2c([nH]1)ccn2
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.595g/mol
Monoisotopic Mass:
183.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties