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86969-26-8 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-bromo-4-ethyl-2-phenyl-
CAS No: 86969-26-8 Catalog No: AG004L3Q MDL No:
Product Description
Catalog Number:
AG004L3Q
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-bromo-4-ethyl-2-phenyl-
CAS Number:
86969-26-8
Molecular Formula:
C14H12BrN3O
Molecular Weight:
318.1686
IUPAC Name:
3-bromo-4-ethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C14H12BrN3O/c1-2-17-9-8-11(19)18-14(17)12(15)13(16-18)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
XXWFJZMAAZLJNU-UHFFFAOYSA-N
SMILES:
CCn1ccc(=O)n2c1c(Br)c(n2)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.174g/mol
Monoisotopic Mass:
317.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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