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Home > Nitro Compounds > 1919868-75-9
1919868-75-9 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-nitro-
CAS No: 1919868-75-9 Catalog No: AG00IM48 MDL No:
Product Description
Catalog Number:
AG00IM48
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-nitro-
CAS Number:
1919868-75-9
Molecular Formula:
C6H4N4O3
Molecular Weight:
180.1210
IUPAC Name:
3-nitro-4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C6H4N4O3/c11-5-1-2-9-6(8-5)4(3-7-9)10(12)13/h1-3H,(H,8,11)
InChI Key:
DIZHINPGGGRDRY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn2c1[nH]c(=O)cc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.123g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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