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Home > Nitro Compounds > 148777-84-8
148777-84-8 | Pyrazolo[1,5-a]pyrimidine, 4,5,6,7-tetrahydro-3-nitro-
CAS No: 148777-84-8 Catalog No: AG001L7B MDL No:MFCD23106242
Product Description
Catalog Number:
AG001L7B
Chemical Name:
Pyrazolo[1,5-a]pyrimidine, 4,5,6,7-tetrahydro-3-nitro-
CAS Number:
148777-84-8
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
MDL Number:
MFCD23106242
IUPAC Name:
3-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C6H8N4O2/c11-10(12)5-4-8-9-3-1-2-7-6(5)9/h4,7H,1-3H2
InChI Key:
NRYKSXYBFPTTGH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn2c1NCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.156g/mol
Monoisotopic Mass:
168.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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