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Home > Nitro Compounds > 86969-30-4
86969-30-4 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 4-ethyl-3-nitroso-2-phenyl-
CAS No: 86969-30-4 Catalog No: AG004L3P MDL No:
Product Description
Catalog Number:
AG004L3P
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 4-ethyl-3-nitroso-2-phenyl-
CAS Number:
86969-30-4
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
4-ethyl-3-nitroso-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C14H12N4O2/c1-2-17-9-8-11(19)18-14(17)13(16-20)12(15-18)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
SRFJBHAWFLWXSL-UHFFFAOYSA-N
SMILES:
O=Nc1c(nn2c1n(CC)ccc2=O)c1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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