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86969-33-7 | Pyrazolo[1,5-a]pyrimidine, 5-ethoxy-2-phenyl-
CAS No: 86969-33-7 Catalog No: AG004L3N MDL No:
Product Description
Catalog Number:
AG004L3N
Chemical Name:
Pyrazolo[1,5-a]pyrimidine, 5-ethoxy-2-phenyl-
CAS Number:
86969-33-7
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
5-ethoxy-2-phenylpyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C14H13N3O/c1-2-18-14-8-9-17-13(15-14)10-12(16-17)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChI Key:
MURMBMSZPFYNFY-UHFFFAOYSA-N
SMILES:
CCOc1ccn2c(n1)cc(n2)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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