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Home > Nitro Compounds > 86969-29-1
86969-29-1 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-nitroso-2-phenyl-
CAS No: 86969-29-1 Catalog No: AG004O6F MDL No:
Product Description
Catalog Number:
AG004O6F
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-nitroso-2-phenyl-
CAS Number:
86969-29-1
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
IUPAC Name:
3-nitroso-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C12H8N4O2/c17-9-6-7-13-12-11(15-18)10(14-16(9)12)8-4-2-1-3-5-8/h1-7,14H
InChI Key:
NMGHSTDQIGIUKH-UHFFFAOYSA-N
SMILES:
O=Nc1c(nn2c1[nH]ccc2=O)c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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