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Home > Nitro Compounds > 88796-46-7
88796-46-7 | Pyrazolo[1,5-a]pyrimidine, 6-nitro-2-phenyl-
CAS No: 88796-46-7 Catalog No: AG004ATM MDL No:
Product Description
Catalog Number:
AG004ATM
Chemical Name:
Pyrazolo[1,5-a]pyrimidine, 6-nitro-2-phenyl-
CAS Number:
88796-46-7
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
IUPAC Name:
6-nitro-2-phenylpyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C12H8N4O2/c17-16(18)10-7-13-12-6-11(14-15(12)8-10)9-4-2-1-3-5-9/h1-8H
InChI Key:
VYIMEGRVPYLOTH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2n(c1)nc(c2)c1ccccc1
Properties
Complexity:
314
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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